SCHEMBL4487904

SCHEMBL4487904

O[C@@]1(C(F)(F)F)C[C@H]2CC[C@@H](C1)N2CCOc1ccc(C#Cc2ccc(-c3ccc(Cl)cc3)cn2)cc1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 18/20 0.72
HTR2A P28223 6/20 0.61
CHRM1 P11229 5/20 0.61
CYP2D6 P10635 1/20 0.59
HTR1A P08908 2/20 0.47
DRD2 P14416 2/20 0.47
HRH1 P35367 2/20 0.47
DRD3 P35462 2/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
HTR7 P34969 1/20 0.47
HTR2B P41595 1/20 0.47
SLC6A3 Q01959 1/20 0.47
TMEM97 Q5BJF2 1/20 0.47
SIGMAR1 Q99720 1/20 0.47

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
SCHEMBL4481177 1.00 MCHR1 (0.72) MCHR1HTR2ACHRM1CYP2D6HTR1A
SCHEMBL4481174 1.00 MCHR1 (0.72) MCHR1HTR2ACHRM1CYP2D6HTR1A
SCHEMBL4482432 0.89 MCHR1 (0.64) MCHR1HTR2ACHRM1CYP2D6HTR1A
SCHEMBL4476712 0.88 MCHR1 (0.62) MCHR1HTR2ACHRM1CYP2D6HTR1A
SCHEMBL4476711 0.88 MCHR1 (0.62) MCHR1HTR2ACHRM1CYP2D6HTR1A
SCHEMBL4476714 0.88 MCHR1 (0.62) MCHR1HTR2ACHRM1CYP2D6HTR1A
SCHEMBL4481972 0.88 MCHR1 (0.61) MCHR1HTR2ACHRM1CYP2D6
SCHEMBL4493173 0.84 MCHR1 (1.00) MCHR1HTR2ACHRM1CYP2D6
SCHEMBL5154514 0.80 MCHR1 (0.75) MCHR1HTR2ACHRM1CYP2D6
SCHEMBL4484488 0.78 MCHR1 (0.77) MCHR1HTR2ACHRM1CYP2D6

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-7592358-B2 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 US claimed
US-20050234101-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-20 US claimed

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-20050234101-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, GPR119, MCHR2 MCHR1 1/4885HTR2A 161/4885CHRM1 125/4885

“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.