SCHEMBL1764007

SCHEMBL1764007

NC1CCC(N)(CC(=O)O)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
BLM P54132 1/20 0.36
CACNA2D1 P54289 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.35
CYP2C19 P33261 2/20 0.34
GRM2 Q14416 3/20 0.32
GRM5 P41594 1/20 0.32
GRM1 Q13255 1/20 0.32
SLC6A12 P48065 2/20 0.32
SLC6A11 P48066 2/20 0.32
SLC6A13 Q9NSD5 2/20 0.32
ALOX15 P16050 1/20 0.31
GRM3 Q14832 1/20 0.31
GRM4 Q14833 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4115624 0.81
Hydrochloric Acid SCHEMBL16666607 0.79
SCHEMBL430341 0.77
SCHEMBL289131 0.77 CYP1A2 (0.52) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL27617099 0.76 CYP1A2 (0.36) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL12923290 0.75 SMYD3 (0.44) CYP1A2ALDH1A1ALOX15
SCHEMBL20198601 0.75 TSHR (0.56) CYP1A2USP2ALDH1A1LMNATSHR
Hydrochloric Acid SCHEMBL3705397 0.75 CYP1A2 (0.50) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL20104809 0.75 TSHR (0.56) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL498155 0.75 TSHR (0.56) CYP1A2USP2ALDH1A1LMNATSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 88 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220125781-A1 Methods and Compositions for Treating Vasomotor Symptoms UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION 2022-04-28 US claimed
US-20210030745-A9 Methods and Compositions for Treating Vasomotor Symptoms ACER THERAPEUTICS INC. 2021-02-04 US claimed
US-20190255037-A1 Methods and Compositions for Treating Vasomotor Symptoms UNIV WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2019-08-22 US claimed
US-20190177365-A1 SYNTHETIC PEPTIDE AMIDES AND DIMERS THEREOF CARA THERAPEUTICS, INC. (US) 2019-06-13 US claimed
US-10017536-B2 Synthetic peptide amides and dimers thereof CARA THERAPEUTICS, INC. (US) 2018-07-10 US claimed
US-20180028594-A1 PERIPHERAL KAPPA OPIOID RECEPTOR AGONISTS FOR HARD TISSUE PAIN CARA THERAPEUTICS, INC. (US) 2018-02-01 US claimed
US-20170231979-A1 Methods and Compositions for Treating Vasomotor Symptoms UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION 2017-08-17 US claimed
US-20160376308-A1 SYNTHETIC PEPTIDE AMIDES AND DIMERS THEREOF CARA THERAPEUTICS, INC. (US) 2016-12-29 US claimed
US-20160362450-A1 SYNTHETIC PEPTIDE AMIDES CARA THERAPEUTICS, INC. (US) 2016-12-15 US claimed
US-20160310558-A1 USES OF KAPPA OPIOID SYNTHETIC PEPTIDE AMIDES CARA THERAPEUTICS, INC. (US) 2016-10-27 US claimed
US-7842662-B2 of kappa opioid receptor and agonists thereof, exhibit low P450 CYP inhibition and low penetration into the brain; visceral pain, neuropathic pain, hyperalgesia, irritabile bowel syndrome, ocular and otic inflammation, pruritis, edema, hyponatremia, hypokalemia, ileus, tussis and glaucoma CARA THERAPEUTICS, INC. (US) 2010-11-30 US claimed
US-7727963-B2 Synthetic peptide amides CARA THERAPEUTICS, INC. (US) 2010-06-01 US claimed
US-20100075910-A1 SYNTHETIC PEPTIDE AMIDES AND DIMERIC FORMS THEREOF CARA THERAPEUTICS, INC. (US) 2010-03-25 US claimed
US-20090264373-A1 of kappa opioid receptor and agonists thereof, exhibit low P450 CYP inhibition and low penetration into the brain; visceral pain, neuropathic pain, hyperalgesia, irritabile bowel syndrome, ocular and otic inflammation, pruritis, edema, hyponatremia, hypokalemia, ileus, tussis and glaucoma CARA THERAPEUTICS, INC. (US) 2009-10-22 US claimed
EP-2079756-A2 SYNTHETIC PEPTIDE AMIDES AND DIMERS THEREOF Cara Therapeutics, Inc. (US) 2009-07-22 EP claimed
US-20090156508-A1 SYNTHETIC PEPTIDE AMIDES AND DIMERIC FORMS THEREOF CARA THERAPEUTICS, INC. (US) 2009-06-18 US claimed
EP-2064228-A2 SYNTHETIC PEPTIDE AMIDES Cara Therapeutics, Inc. (US) 2009-06-03 EP claimed
US-20090075907-A1 SYNTHETIC PEPTIDE AMIDES CARA THERAPEUTICS, INC. (US) 2009-03-19 US claimed
WO-2008060552-A2 SYNTHETIC PEPTIDE AMIDES AND DIMERS THEREOF CARA THERAPEUTICS, INC. (US) 2008-05-22 WO claimed
WO-2008057608-A2 SYNTHETIC PEPTIDE AMIDES CARA THERAPEUTICS, INC. (US) 2008-05-15 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (14 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210030745-A9 Methods and Compositions for Treating Vasomotor Symptoms VASP, PDE3A, PDE2A CYP1A2 1621/4885USP2 1805/4885ALDH1A1 2052/4885
US-20190255037-A1 Methods and Compositions for Treating Vasomotor Symptoms VASP, PDE3A, PDE2A CYP1A2 1621/4885USP2 1805/4885ALDH1A1 2052/4885
US-20160376308-A1 SYNTHETIC PEPTIDE AMIDES AND DIMERS THEREOF OPRK1, OPRL1, OPRM1 CYP1A2 11/4885USP2 1819/4885ALDH1A1 2633/4885
US-20180028594-A1 PERIPHERAL KAPPA OPIOID RECEPTOR AGONISTS FOR HARD TISSUE PAIN OPRK1, OPRL1, OPRD1 CYP1A2 3843/4885USP2 1954/4885ALDH1A1 3597/4885
US-20100075910-A1 SYNTHETIC PEPTIDE AMIDES AND DIMERIC FORMS THEREOF OPRK1, OPRD1, OPRM1 CYP1A2 21/4885USP2 2376/4885ALDH1A1 3381/4885
US-20090156508-A1 SYNTHETIC PEPTIDE AMIDES AND DIMERIC FORMS THEREOF OPRK1, OPRM1, OPRL1 CYP1A2 27/4885USP2 2532/4885ALDH1A1 3387/4885
US-20090075907-A1 SYNTHETIC PEPTIDE AMIDES VIP, OPRK1, OPRL1 CYP1A2 96/4885USP2 2053/4885ALDH1A1 2282/4885
US-20090264373-A1 of kappa opioid receptor and agonists thereof, exhibit low P450 CYP inhibition and low penetration into the brain; visceral pain, neuropathic pain, hyperalgesia, irritabile bowel syndrome, ocular and otic inflammation, pruritis, edema, hyponatremia, hypokalemia, ileus, tussis and glaucoma OPRK1, OPRD1, OGFR CYP1A2 98/4885USP2 1774/4885ALDH1A1 1501/4885
US-20160362450-A1 SYNTHETIC PEPTIDE AMIDES VIP, OPRK1, OPRL1 CYP1A2 96/4885USP2 2053/4885ALDH1A1 2282/4885
US-20220125781-A1 Methods and Compositions for Treating Vasomotor Symptoms VASP, PDE3A, PDE2A CYP1A2 1621/4885USP2 1805/4885ALDH1A1 2052/4885
US-20170231979-A1 Methods and Compositions for Treating Vasomotor Symptoms VASP, PDE3A, PDE2A CYP1A2 1621/4885USP2 1805/4885ALDH1A1 2052/4885
US-20160310558-A1 USES OF KAPPA OPIOID SYNTHETIC PEPTIDE AMIDES OPRK1, OGFR, MMP13 CYP1A2 2057/4885USP2 3265/4885ALDH1A1 3529/4885
US-10017536-B2 Synthetic peptide amides and dimers thereof OPRK1, OPRL1, OPRM1 CYP1A2 11/4885USP2 1819/4885ALDH1A1 2633/4885
US-20190177365-A1 SYNTHETIC PEPTIDE AMIDES AND DIMERS THEREOF OPRK1, OPRL1, OPRM1 CYP1A2 11/4885USP2 1819/4885ALDH1A1 2633/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.