SCHEMBL5220840

SCHEMBL5220840

CC1CCN(CC2CCc3cc(C#Cc4ccc(-c5ccc(Cl)cc5)cn4)ccc3O2)CC1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 18/20 0.57
CHRM1 P11229 5/20 0.57
HTR2A P28223 4/20 0.57
CYP2D6 P10635 1/20 0.44
HRH4 Q9H3N8 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL12440750 0.85 HRH3 (0.43) MCHR1CHRM1HTR2AHRH4HRH3
SCHEMBL4481680 0.76 MCHR1 (0.67) MCHR1CHRM1HTR2ACYP2D6
SCHEMBL6366146 0.76 MCHR1 (0.73) MCHR1CHRM1HTR2ACYP2D6
SCHEMBL4478349 0.75 MCHR1 (0.66) MCHR1CHRM1HTR2ACYP2D6HRH3
SCHEMBL6371831 0.75 MCHR1 (0.66) MCHR1CHRM1HTR2ACYP2D6
SCHEMBL5227041 0.75 MCHR1 (0.66) MCHR1CHRM1HTR2ACYP2D6
SCHEMBL2326887 0.74 MCHR1 (0.60) MCHR1CHRM1HTR2ACYP2D6HRH3
SCHEMBL2328706 0.74 MCHR1 (0.76) MCHR1CHRM1HTR2ACYP2D6
SCHEMBL4480442 0.74 MCHR1 (0.78) MCHR1CHRM1HTR2ACYP2D6HRH3
SCHEMBL4464940 0.74 MCHR1 (0.59) MCHR1CHRM1HTR2ACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1742939-A2 NOVEL ALKYNE COMPOUNDS EXHIBITING AN MCH ANTAGONISTIC EFFECT AND DRUGS CONTAINING SAID COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-01-17 EP claimed
US-20050267120-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-01 US claimed
WO-2005100285-A2 NOVEL ALKYNE COMPOUNDS EXHIBITING AN MCH ANTAGONISTIC EFFECT AND DRUGS CONTAINING SAID COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-27 WO claimed
US-20090069282-A1 ALKYNE COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-03-12 US disclosed
US-20090069282-A1 ALKYNE COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-03-12 US disclosed
US-7452911-B2 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-11-18 US disclosed
US-7452911-B2 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-11-18 US disclosed
EP-1742939-A2 NOVEL ALKYNE COMPOUNDS EXHIBITING AN MCH ANTAGONISTIC EFFECT AND DRUGS CONTAINING SAID COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-01-17 EP disclosed
US-20050267120-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-01 US disclosed
WO-2005100285-A2 NOVEL ALKYNE COMPOUNDS EXHIBITING AN MCH ANTAGONISTIC EFFECT AND DRUGS CONTAINING SAID COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-27 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 (2 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-20090069282-A1 ALKYNE COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS MCHR1, MCHR2, GPR119 MCHR1 1/4885CHRM1 85/4885HTR2A 149/4885
US-20050267120-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, GPR119, MCHR2 MCHR1 1/4885CHRM1 49/4885HTR2A 157/4885

“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.