SCHEMBL3636000

SCHEMBL3636000

Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccccc1C(=O)NCc1ccc2c(c1)CCO2

nearest known ligand 0.78

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 9/20 0.78
▸ KMT2A Q03164 5/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ ALDH1A1 P00352 3/20 0.50
▸ ATM Q13315 1/20 0.49
▸ PTGS2 P35354 2/20 0.48
▸ GAA P10253 1/20 0.48
▸ LMNA P02545 1/20 0.48

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
SCHEMBL3631940 0.88 GHSR (1.00) GHSRKMT2AMEN1CYP1A2CYP3A4
SCHEMBL6081481 0.75 GHSR (0.76) GHSRKMT2AMEN1ALDH1A1PTGS2
SCHEMBL10107719 0.75 ALDH2 (0.68) KMT2AMEN1ALDH1A1LMNA
SCHEMBL17695174 0.71 RAB9A (0.69) KMT2AMEN1ALDH1A1LMNA
SCHEMBL3636891 0.71 GHSR (0.75) GHSRKMT2ACYP3A4CYP2D6CYP2C9
SCHEMBL29542280 0.70 GAA (0.75) GHSRKMT2AMEN1CYP1A2CYP3A4
SCHEMBL6080755 0.69 GHSR (0.65) GHSRKMT2AMEN1ALDH1A1PTGS2
SCHEMBL17241485 0.67 RAB9A (0.57) KMT2AMEN1ALDH1A1LMNA
SCHEMBL18046667 0.67 PTGS2 (0.61) GHSRKMT2AMEN1CYP1A2CYP3A4
SCHEMBL8360215 0.67 MMP13 (0.69) KMT2AMEN1ALDH1A1

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 1793/4885MEN1 3388/4885
US-20100093638-A1 TREAMENT FOR CHEMICAL SUBSTANCE ADDICTION GHSR, GHRHR, TRHR GHSR 1/4885KMT2A 1131/4885MEN1 3464/4885

“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.

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