SCHEMBL3634582

SCHEMBL3634582

CCN(CC)C1CCC(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 10/20 1.00
KMT2A Q03164 2/20 0.58
POLB P06746 1/20 0.54
ALDH1A1 P00352 2/20 0.53
KDM4E B2RXH2 1/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
PTGS2 P35354 1/20 0.53
GLA P06280 1/20 0.53
PKM P14618 1/20 0.53
TSHR P16473 1/20 0.52

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
SCHEMBL6081455 0.80 GHSR (0.66) GHSRKMT2APOLBALDH1A1KDM4E
SCHEMBL6636640 0.79 GHSR (0.65) GHSRKMT2APOLBALDH1A1GAA
SCHEMBL1514721 0.78 KMT2A (0.70) GHSRKMT2APOLBALDH1A1KDM4E
SCHEMBL315915 0.77 GHSR (0.63) GHSRKMT2AALDH1A1KDM4EGAA
SCHEMBL316283 0.77 GHSR (0.62) GHSRKMT2APOLBALDH1A1KDM4E
SCHEMBL314979 0.77 GHSR (0.62) GHSRKMT2APOLBALDH1A1KDM4E
Hydrochloric Acid SCHEMBL317007 0.77 GHSR (0.62) GHSRKMT2AALDH1A1KDM4EGAA
SCHEMBL315422 0.76 GHSR (0.61) GHSRKMT2APOLBALDH1A1KDM4E
SCHEMBL316492 0.76 GHSR (0.61) GHSRKMT2APOLBALDH1A1KDM4E
SCHEMBL6461553 0.76 GHSR (0.61) GHSRKMT2AALDH1A1KDM4EGAA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060089398-A1 Isoxazole carboxamide derivatives as ghrelin receptor modulators NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-04-27 US claimed
US-20100093638-A1 TREAMENT FOR CHEMICAL SUBSTANCE ADDICTION ABUNON AB (SE) 2010-04-15 US disclosed
EP-2155227-A1 NEW TREATMENT FOR CHEMICAL SUBSTANCE ADDICTION Dickson, Suzanne L (SE) 2010-02-24 EP disclosed
WO-2009020419-A1 NEW TREATMENT FOR CHEMICAL SUBSTANCE ADDICTION DICKSON SUZANNE L (SE) 2009-02-12 WO disclosed
US-20060089398-A1 Isoxazole carboxamide derivatives as ghrelin receptor modulators NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-04-27 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 (2 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-20060089398-A1 Isoxazole carboxamide derivatives as ghrelin receptor modulators GPR119, GIPR, GLP1R GHSR 5/4885KMT2A 1793/4885POLB 4403/4885
US-20100093638-A1 TREAMENT FOR CHEMICAL SUBSTANCE ADDICTION GHSR, GHRHR, TRHR GHSR 1/4885KMT2A 1131/4885POLB 4099/4885

“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.