SCHEMBL3753296

SCHEMBL3753296

O=C(C=Cc1ccc(F)cc1)Nc1ccc2nc(Cl)sc2c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.54
TRPV1 Q8NER1 2/20 0.54
CA12 O43570 5/20 0.54
CA9 Q16790 5/20 0.54
MMP1 P03956 6/20 0.53
MMP2 P08253 6/20 0.53
MMP9 P14780 6/20 0.53
MAPT P10636 2/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
EGFR P00533 1/20 0.51
MAOB P27338 1/20 0.50
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
HPSE Q9Y251 1/20 0.46

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
SCHEMBL13054230 1.00 MCHR1 (0.54) MCHR1TRPV1CA12CA9MMP1
SCHEMBL3753291 1.00 MCHR1 (0.54) MCHR1TRPV1CA12CA9MMP1
SCHEMBL3758684 0.79 MCHR1 (0.57) MCHR1TRPV1CA12CA9MMP1
SCHEMBL13054123 0.79 MCHR1 (0.57) MCHR1TRPV1CA12CA9MMP1
SCHEMBL3758688 0.79 MCHR1 (0.57) MCHR1TRPV1CA12CA9MMP1
SCHEMBL3754639 0.78 MCHR1 (0.51) MCHR1TRPV1CA12CA9MMP1
SCHEMBL3754637 0.78 MCHR1 (0.51) MCHR1TRPV1CA12CA9MMP1
SCHEMBL13054234 0.78 MCHR1 (0.51) MCHR1TRPV1CA12CA9MMP1
SCHEMBL3743875 0.77 MCHR1 (0.51) MCHR1MAPTSMN1; SMN2
SCHEMBL3743879 0.77 MCHR1 (0.51) MCHR1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7838543-B2 Melanin Concentrating Hormone Receptor 1; Obesity; 4'-Fluoro-biphenyl-4-carboxylic acid {2-[(2-dimethylamino-ethyl)-methyl-amino]-benzothiazol-6-yl}amide; 4-Cyclohexyl-N-{2-[(2-dimethylamino-ethyl)-methyl-amino]-benzooxazol-5-yl}-benzamide; 2-aminobenzoxazoles or 2-aminobenzothiazoles ELI LILLY AND COMPANY (US) 2010-11-23 US disclosed
US-20090170913-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2009-07-02 US disclosed
EP-1828177-B1 NOVEL MCH RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-08-13 EP disclosed
CN-101072775-A Novel mch receptor antagonists LILLY CO ELI (US) 2007-11-14 CN disclosed
EP-1828177-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2007-09-05 EP disclosed
WO-2006066173-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2006-06-22 WO 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 (1 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-20090170913-A1 NOVEL MCH RECEPTOR ANTAGONISTS MCHR1, MCHR2, MC1R MCHR1 1/4885TRPV1 342/4885CA12 4668/4885

“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.