SCHEMBL10316248

SCHEMBL10316248

CN1CCCN(C2=NCCN2)CC1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 7/20 0.40
ROCK1 Q13464 7/20 0.40
CYP1A2 P05177 1/20 0.38
TSHR P16473 1/20 0.38
HRH4 Q9H3N8 4/20 0.38
CHKA P35790 1/20 0.36
CDC42BPA Q5VT25 1/20 0.35
CDC42BPB Q9Y5S2 1/20 0.35

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
SCHEMBL12022359 0.85 NOS3 (0.38) ROCK2ROCK1CYP1A2TSHRHRH4
SCHEMBL13460691 0.82 USP2 (0.45) CYP1A2TSHRCHKA
SCHEMBL9117477 0.82
SCHEMBL17912452 0.73 CHRNA7 (0.39) CYP1A2TSHR
SCHEMBL4073814 0.72 INMT (0.43) CYP1A2TSHRCHKA
SCHEMBL12983671 0.72 INMT (0.48) CYP1A2TSHRCHKA
SCHEMBL8065689 0.72
SCHEMBL8046555 0.72
SCHEMBL51453 0.72 INMT (0.48) CYP1A2TSHRCHKA
SCHEMBL8056671 0.72 INMT (0.39) CYP1A2TSHRCHKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230338546-A1 ORAL FORMULATIONS OF KAPPA OPIOID RECEPTOR AGONISTS CARA THERAPEUTICS INC (US) 2023-10-26 US disclosed
US-20230338546-A1 ORAL FORMULATIONS OF KAPPA OPIOID RECEPTOR AGONISTS CARA THERAPEUTICS INC (US) 2023-10-26 US disclosed
US-11684674-B2 Oral formulations of kappa opioid receptor agonists CARA THERAPEUTICS, INC. (US) 2023-06-27 US disclosed
US-11684674-B2 Oral formulations of kappa opioid receptor agonists CARA THERAPEUTICS, INC. (US) 2023-06-27 US disclosed
US-20210346505-A1 Oral Formulations of Kappa Opioid Receptor Agonists CARA THERAPEUTICS, INC. 2021-11-11 US disclosed
US-11083726-B2 Methods and compositions for treating vasomotor symptoms UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2021-08-10 US disclosed
US-11084847-B2 Polyamide compound and use thereof SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2021-08-10 US disclosed
US-11033629-B2 Oral formulations of kappa opioid receptor agonists CARA THERAPEUTICS, INC. (US) 2021-06-15 US disclosed
US-10913769-B2 Synthetic peptide amides and dimers thereof CARA THERAPEUTICS, INC. (US) 2021-02-09 US disclosed
US-20210030745-A9 Methods and Compositions for Treating Vasomotor Symptoms ACER THERAPEUTICS INC. 2021-02-04 US disclosed
US-20100075910-A1 SYNTHETIC PEPTIDE AMIDES AND DIMERIC FORMS THEREOF CARA THERAPEUTICS, INC. (US) 2010-03-25 US disclosed
US-20100075910-A1 SYNTHETIC PEPTIDE AMIDES AND DIMERIC FORMS THEREOF CARA THERAPEUTICS, INC. (US) 2010-03-25 US disclosed
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 disclosed
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 disclosed
US-20090156508-A1 SYNTHETIC PEPTIDE AMIDES AND DIMERIC FORMS THEREOF CARA THERAPEUTICS, INC. (US) 2009-06-18 US disclosed
US-20090156508-A1 SYNTHETIC PEPTIDE AMIDES AND DIMERIC FORMS THEREOF CARA THERAPEUTICS, INC. (US) 2009-06-18 US disclosed
US-20090075907-A1 SYNTHETIC PEPTIDE AMIDES CARA THERAPEUTICS, INC. (US) 2009-03-19 US disclosed
US-20090075907-A1 SYNTHETIC PEPTIDE AMIDES CARA THERAPEUTICS, INC. (US) 2009-03-19 US disclosed
US-7402564-B1 Synthetic peptide amides CARA THERAPEUTICS, INC. (US) 2008-07-22 US disclosed
US-7402564-B1 Synthetic peptide amides CARA THERAPEUTICS, INC. (US) 2008-07-22 US disclosed

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

For each of this compound's patents that has machine-readable text (12 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-11084847-B2 Polyamide compound and use thereof OPRK1, OPRM1, OPRD1 ROCK2 1770/4885ROCK1 1516/4885CYP1A2 241/4885
US-20210346505-A1 Oral Formulations of Kappa Opioid Receptor Agonists OPRK1, OPRL1, OGFR ROCK2 3414/4885ROCK1 3433/4885CYP1A2 1973/4885
US-20210030745-A9 Methods and Compositions for Treating Vasomotor Symptoms VASP, PDE3A, PDE2A ROCK2 739/4885ROCK1 880/4885CYP1A2 1621/4885
US-20100075910-A1 SYNTHETIC PEPTIDE AMIDES AND DIMERIC FORMS THEREOF OPRK1, OPRD1, OPRM1 ROCK2 3449/4885ROCK1 3657/4885CYP1A2 21/4885
US-11083726-B2 Methods and compositions for treating vasomotor symptoms VASP, PDE3A, PDE2A ROCK2 739/4885ROCK1 880/4885CYP1A2 1621/4885
US-20230338546-A1 ORAL FORMULATIONS OF KAPPA OPIOID RECEPTOR AGONISTS OPRK1, OPRL1, OGFR ROCK2 3414/4885ROCK1 3433/4885CYP1A2 1973/4885
US-20090156508-A1 SYNTHETIC PEPTIDE AMIDES AND DIMERIC FORMS THEREOF OPRK1, OPRM1, OPRL1 ROCK2 3343/4885ROCK1 3520/4885CYP1A2 27/4885
US-20090075907-A1 SYNTHETIC PEPTIDE AMIDES VIP, OPRK1, OPRL1 ROCK2 1702/4885ROCK1 1235/4885CYP1A2 96/4885
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 ROCK2 1129/4885ROCK1 701/4885CYP1A2 98/4885
US-10913769-B2 Synthetic peptide amides and dimers thereof OPRK1, OPRL1, OPRM1 ROCK2 2912/4885ROCK1 3274/4885CYP1A2 11/4885
US-11684674-B2 Oral formulations of kappa opioid receptor agonists OPRK1, OPRL1, OGFR ROCK2 3414/4885ROCK1 3433/4885CYP1A2 1973/4885
US-11033629-B2 Oral formulations of kappa opioid receptor agonists OPRK1, OPRL1, OGFR ROCK2 3414/4885ROCK1 3433/4885CYP1A2 1973/4885

“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.