SCHEMBL3858463

SCHEMBL3858463

O=C(O)C#Cc1ccc(-c2ccc(Cl)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 6/20 0.44
CHRM1 P11229 1/20 0.44
MCHR1 Q99705 1/20 0.44
CYP1A2 P05177 1/20 0.43
ALAD P13716 1/20 0.41
NOTUM Q6P988 1/20 0.41
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
ERCC5 P28715 1/20 0.39
FEN1 P39748 1/20 0.39
PTGES O14684 1/20 0.39
ALOX5 P09917 1/20 0.39
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39

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
SCHEMBL2636129 0.94 TSHR (0.44) FFAR1ALOX15TSHRPTGDR2GABRP
SCHEMBL10794117 0.92 TSHR (0.43) FFAR1ALOX15TSHRPTGDR2GABRP
Guanidine SCHEMBL2281423 0.85 LMNA (0.39) FFAR1ALOX15TSHRPTGDR2GABRP
SCHEMBL162349 0.83 FFAR1 (0.58) FFAR1CYP1A2
SCHEMBL9629232 0.82 FFAR1 (0.50) FFAR1GABRPGABRDGABRA1GABRB1
SCHEMBL3291886 0.82 FFAR1 (0.49) FFAR1GABRPGABRDGABRA1GABRB1
Hydrochloric Acid SCHEMBL3857755 0.82 FFAR1 (0.56) FFAR1CYP1A2
SCHEMBL8479814 0.79 CYP1A2 (0.46) FFAR1CYP1A2ALADNOTUMALOX15
SCHEMBL8443823 0.77 KCNH2 (0.42) CHRM1MCHR1ALOX15TSHRPTGDR2
SCHEMBL3859184 0.75 EGLN1 (0.46) CHRM1MCHR1

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 665/4885CHRM1 103/4885MCHR1 1/4885

“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.