SCHEMBL3860646

SCHEMBL3860646

C#CC(=O)Oc1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.49
MRGPRX4 Q96LA9 13/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.44
MEN1 O00255 1/20 0.43
TTR P02766 1/20 0.43
PPOX P50336 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
Hydrochloric Acid SCHEMBL3870666 0.98 FFAR1 (0.48) FFAR1MRGPRX4PTGDR2MEN1TTR
SCHEMBL5277735 0.82 MRGPRX4 (0.51) FFAR1MRGPRX4MEN1TTRPPOX
SCHEMBL3712182 0.80 MRGPRX4 (0.53) FFAR1MRGPRX4MEN1TTRPPOX
SCHEMBL5769694 0.80 KDM4E (0.60) FFAR1MRGPRX4
SCHEMBL3859301 0.79 KMT2A (0.53) FFAR1MRGPRX4MEN1TTRKMT2A
SCHEMBL9834893 0.78 PTGDR2 (0.47) FFAR1MRGPRX4PTGDR2
Hydrochloric Acid SCHEMBL3869296 0.78 KMT2A (0.51) FFAR1MRGPRX4MEN1TTRKMT2A
SCHEMBL17356416 0.77 MRGPRX4 (0.52) FFAR1MRGPRX4
SCHEMBL3857991 0.76 KMT2A (0.44) MEN1KMT2ATDP1
SCHEMBL17356454 0.76 MRGPRX4 (0.51) FFAR1MRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7592373-B2 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 US disclosed
US-20050267093-A1 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-01 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 (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-20050267093-A1 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, MC4R, MCHR2 FFAR1 665/4885MRGPRX4 30/4885PTGDR2 1118/4885

“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.