SCHEMBL1764006

SCHEMBL1764006

NC(C(=O)O)[C@H]1CC[C@H](N)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.47
SLC1A2 P43004 3/20 0.43
SLC1A1 P43005 2/20 0.43
CYP2C19 P33261 2/20 0.40
GRM2 Q14416 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP2C9 P11712 1/20 0.40
GRM8 O00222 1/20 0.40
GRM6 O15303 1/20 0.40
LMNA P02545 1/20 0.40
APEX1 P27695 1/20 0.40
GRM5 P41594 1/20 0.40
PMP22 Q01453 1/20 0.40
GRM1 Q13255 1/20 0.40
GRM3 Q14832 1/20 0.40
GRM4 Q14833 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL12003240 1.00 DPP4 (0.47) DPP4SLC1A2SLC1A1CYP2C19GRM2
SCHEMBL17729296 1.00 DPP4 (0.47) DPP4SLC1A2SLC1A1CYP2C19GRM2
SCHEMBL1531463 0.90
SCHEMBL412802 0.90
SCHEMBL412803 0.90
Hydrochloric Acid SCHEMBL17423095 0.87
Hydrochloric Acid SCHEMBL17423093 0.87
SCHEMBL342059 0.81 DPP4 (0.46) DPP4SLC1A2SLC1A1CYP2C19GRM2
SCHEMBL650638 0.81 DPP4 (0.46) DPP4SLC1A2SLC1A1CYP2C19GRM2
SCHEMBL7077492 0.81 DPP4 (0.46) DPP4SLC1A2SLC1A1CYP2C19GRM2

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 90 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-10138270-B2 Synthetic peptide amides CARA THERAPEUTICS, INC. (US) 2018-11-27 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-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 DPP4 1812/4885SLC1A2 914/4885SLC1A1 1688/4885
US-20190255037-A1 Methods and Compositions for Treating Vasomotor Symptoms VASP, PDE3A, PDE2A DPP4 1812/4885SLC1A2 914/4885SLC1A1 1688/4885
US-10138270-B2 Synthetic peptide amides VIP, OPRK1, OPRL1 DPP4 2115/4885SLC1A2 162/4885SLC1A1 151/4885
US-20160376308-A1 SYNTHETIC PEPTIDE AMIDES AND DIMERS THEREOF OPRK1, OPRL1, OPRM1 DPP4 833/4885SLC1A2 232/4885SLC1A1 198/4885
US-20180028594-A1 PERIPHERAL KAPPA OPIOID RECEPTOR AGONISTS FOR HARD TISSUE PAIN OPRK1, OPRL1, OPRD1 DPP4 1588/4885SLC1A2 253/4885SLC1A1 131/4885
US-20100075910-A1 SYNTHETIC PEPTIDE AMIDES AND DIMERIC FORMS THEREOF OPRK1, OPRD1, OPRM1 DPP4 918/4885SLC1A2 151/4885SLC1A1 176/4885
US-20090156508-A1 SYNTHETIC PEPTIDE AMIDES AND DIMERIC FORMS THEREOF OPRK1, OPRM1, OPRL1 DPP4 865/4885SLC1A2 144/4885SLC1A1 161/4885
US-20090075907-A1 SYNTHETIC PEPTIDE AMIDES VIP, OPRK1, OPRL1 DPP4 2115/4885SLC1A2 162/4885SLC1A1 151/4885
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 DPP4 2605/4885SLC1A2 290/4885SLC1A1 262/4885
US-20160362450-A1 SYNTHETIC PEPTIDE AMIDES VIP, OPRK1, OPRL1 DPP4 2115/4885SLC1A2 162/4885SLC1A1 151/4885
US-20220125781-A1 Methods and Compositions for Treating Vasomotor Symptoms VASP, PDE3A, PDE2A DPP4 1812/4885SLC1A2 914/4885SLC1A1 1688/4885
US-20170231979-A1 Methods and Compositions for Treating Vasomotor Symptoms VASP, PDE3A, PDE2A DPP4 1812/4885SLC1A2 914/4885SLC1A1 1688/4885
US-10017536-B2 Synthetic peptide amides and dimers thereof OPRK1, OPRL1, OPRM1 DPP4 833/4885SLC1A2 232/4885SLC1A1 198/4885
US-20190177365-A1 SYNTHETIC PEPTIDE AMIDES AND DIMERS THEREOF OPRK1, OPRL1, OPRM1 DPP4 833/4885SLC1A2 232/4885SLC1A1 198/4885

“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.