SCHEMBL5113946

SCHEMBL5113946

O=C(NCc1ccc(-c2ccc(Cl)cc2)cc1)Nc1ccc(CN2CCCCC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 7/20 1.00
CHRM1 P11229 6/20 1.00
HTR2A P28223 5/20 1.00
CNR1 P21554 1/20 0.60
RAB9A P51151 2/20 0.59
POLB P06746 1/20 0.59
NPC1 O15118 1/20 0.59
TNIK Q9UKE5 1/20 0.57
ENPP2 Q13822 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
CYP2D6 P10635 1/20 0.56
NAMPT P43490 1/20 0.55

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
SCHEMBL23747652 0.83 CHRM1 (0.71) MCHR1CHRM1HTR2ACNR1RAB9A
SCHEMBL23747448 0.82 CHRM1 (0.69) MCHR1CHRM1HTR2ARAB9APOLB
SCHEMBL23747369 0.81 CHRM1 (0.69) MCHR1CHRM1HTR2ACNR1RAB9A
SCHEMBL3879688 0.81 MCHR1 (0.68) MCHR1CHRM1HTR2ARAB9ANPC1
SCHEMBL3870522 0.81 MCHR1 (0.68) MCHR1CHRM1HTR2ARAB9ANPC1
SCHEMBL26134296 0.81 CHRM1 (0.67) MCHR1CHRM1HTR2ACNR1RAB9A
SCHEMBL4009683 0.81 MCHR1 (1.00) MCHR1CHRM1HTR2AKDM4EALDH1A1
SCHEMBL23747324 0.81 CHRM1 (0.67) MCHR1CHRM1HTR2ACNR1RAB9A
SCHEMBL23747584 0.80 CHRM1 (0.67) MCHR1CHRM1HTR2ACNR1RAB9A
SCHEMBL23747743 0.80 CHRM1 (0.67) MCHR1CHRM1HTR2ACNR1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7351719-B2 Amide compounds having MCH-antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-04-01 US disclosed
US-7351719-B2 Amide compounds having MCH-antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-04-01 US disclosed
US-7351719-B2 Amide compounds having MCH-antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-04-01 US disclosed
US-20040152742-A1 Amide compounds having MCH-antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-08-05 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-20040152742-A1 Amide compounds having MCH-antagonistic activity and medicaments comprising these compounds MCHR2, MCHR1, NPY1R MCHR1 2/4885CHRM1 124/4885HTR2A 219/4885

“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.