SCHEMBL3636891

SCHEMBL3636891

Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccccc1C(=O)N1CCc2ccccc2C1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 7/20 0.75
▸ NPSR1 Q6W5P4 2/20 0.74
▸ CYP3A4 P08684 1/20 0.74
▸ CYP2D6 P10635 1/20 0.74
▸ CYP2C9 P11712 1/20 0.74
▸ CYP2C19 P33261 1/20 0.74
▸ GAA P10253 2/20 0.68
▸ L3MBTL1 Q9Y468 1/20 0.68
▸ LMNA P02545 3/20 0.62
▸ TSHR P16473 2/20 0.55
▸ PTGS2 P35354 2/20 0.54
▸ ALDH1A1 P00352 3/20 0.53
▸ TAS1R3 Q7RTX0 1/20 0.52
▸ TAS1R1 Q7RTX1 1/20 0.52
▸ TAS1R2 Q8TE23 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ MAPT P10636 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ KMT2A Q03164 1/20 0.51

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
SCHEMBL6081481 0.80 GHSR (0.76) GHSRNPSR1GAAL3MBTL1LMNA
SCHEMBL3639749 0.72 GHSR (0.72) GHSRKMT2A
SCHEMBL14427571 0.72 TSHR (1.00) NPSR1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL6080755 0.72 GHSR (0.65) GHSRGAALMNATSHRPTGS2
SCHEMBL11375807 0.71 HPGD (1.00) CYP3A4CYP2C9CYP2C19GAALMNA
SCHEMBL3636000 0.71 GHSR (0.78) GHSRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL12204566 0.70 TSHR (0.89) GHSRNPSR1L3MBTL1LMNATSHR
SCHEMBL701923 0.70 TAS1R3 (1.00) GAALMNAALDH1A1TAS1R3TAS1R1
SCHEMBL3631940 0.69 GHSR (1.00) GHSRNPSR1CYP3A4CYP2D6CYP2C9
SCHEMBL18046667 0.69 PTGS2 (0.61) GHSRNPSR1CYP3A4CYP2D6CYP2C9

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 5/4885NPSR1 722/4885CYP3A4 3261/4885
US-20100093638-A1 TREAMENT FOR CHEMICAL SUBSTANCE ADDICTION GHSR, GHRHR, TRHR GHSR 1/4885NPSR1 34/4885CYP3A4 3077/4885

“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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