SCHEMBL3635632

SCHEMBL3635632

Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc(CCNCCCOC(C)C)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 9/20 0.58
▸ GHSR Q92847 5/20 0.57
▸ TP53 P04637 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ HPGD P15428 2/20 0.53
▸ POLB P06746 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ MEN1 O00255 1/20 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
▸ 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
SCHEMBL3635763 0.90 GHSR (0.59) PTGS2GHSRTP53MAPTHPGD
SCHEMBL3633629 0.86 PTGS2 (0.64) PTGS2GHSRTP53MAPTHPGD
SCHEMBL6081569 0.79 PTGS2 (0.73) PTGS2GHSRTP53MAPTHPGD
SCHEMBL3637769 0.73 GHSR (1.00) PTGS2GHSR
SCHEMBL3636109 0.73 GHSR (0.79) PTGS2GHSRTP53MAPTHPGD
SCHEMBL2859037 0.73 MAPT (0.66) PTGS2GHSRTP53MAPTHPGD
SCHEMBL3638189 0.70 GHSR (0.89) PTGS2GHSR
SCHEMBL3636499 0.70 GHSR (1.00) PTGS2GHSR
SCHEMBL7058846 0.69 TSHR (0.72) PTGS2GHSRMAPTHPGDALDH1A1
SCHEMBL3632135 0.69 GHSR (0.87) PTGS2GHSR

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 PTGS2 2925/4885GHSR 5/4885TP53 3018/4885
US-20100093638-A1 TREAMENT FOR CHEMICAL SUBSTANCE ADDICTION GHSR, GHRHR, TRHR PTGS2 2302/4885GHSR 1/4885TP53 3033/4885

“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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