SCHEMBL384710

SCHEMBL384710

Ic1ccc2c(cnn2CCN2CCCC2)c1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 19/20 0.50
MCHR2 Q969V1 3/20 0.50
CYP3A4 P08684 3/20 0.47
CYP2C19 P33261 2/20 0.47
KCNH2 Q12809 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
SCHEMBL2961954 0.89 HDAC3 (0.52) MCHR1MCHR2
SCHEMBL4539220 0.88 MCHR1 (0.47) MCHR1MCHR2CYP3A4CYP2C19
SCHEMBL538977 0.82 MCHR1 (0.53) MCHR1MCHR2CYP3A4CYP2C19KCNH2
SCHEMBL385334 0.82 MCHR1 (0.50) MCHR1MCHR2CYP3A4CYP2C19KCNH2
SCHEMBL18731915 0.82 MCHR1 (0.61) MCHR1MCHR2CYP3A4CYP2C19KCNH2
SCHEMBL6069601 0.81 MCHR1 (0.52) MCHR1MCHR2CYP3A4CYP2C19KCNH2
SCHEMBL21026002 0.79 MCHR1 (0.53) MCHR1MCHR2CYP3A4CYP2C19KCNH2
SCHEMBL31429180 0.78 P2RX7 (0.56) MCHR1MCHR2CYP3A4KCNH2
SCHEMBL4479034 0.78 KMO (0.46)
SCHEMBL27998524 0.77 P2RX7 (0.54) MCHR1MCHR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8618132-B2 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2013-12-31 US disclosed
EP-1558578-B1 NOVEL ALKYNE COMPOUNDS HAVING AN MCH ANTAGONISTIC EFFECT AND MEDICAMENTS CONTAINING THESE COMPOUNDS BOEHRINGER INGELHEIM PHARMA (DE) 2013-03-13 EP disclosed
CN-101687879-B 5-furopyridinone substituted indazoles ALBANY MOLECULAR RES INC 2013-01-02 CN disclosed
US-8101632-B2 5-furopyridinone substituted indazoles ALBANY MOLECULAR RESEARCH, INC. (US) 2012-01-24 US disclosed
US-8101632-B2 5-furopyridinone substituted indazoles ALBANY MOLECULAR RESEARCH, INC. (US) 2012-01-24 US disclosed
US-8101632-B2 5-furopyridinone substituted indazoles ALBANY MOLECULAR RESEARCH, INC. (US) 2012-01-24 US disclosed
US-20090318439-A1 5-FUROPYRIDINONE SUBSTITUTED INDAZOLES ALBANY MOLECULAR RESEARCH, INC. (US) 2009-12-24 US disclosed
US-20090318439-A1 5-FUROPYRIDINONE SUBSTITUTED INDAZOLES ALBANY MOLECULAR RESEARCH, INC. (US) 2009-12-24 US disclosed
US-20090318439-A1 5-FUROPYRIDINONE SUBSTITUTED INDAZOLES ALBANY MOLECULAR RESEARCH, INC. (US) 2009-12-24 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
WO-2008086409-A1 5-FUROPYRIDINONE SUBSTITUTED INDAZOLES ALBANY MOLECULAR RESEARCH, INC. (US) 2008-07-17 WO disclosed
US-20040209865-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-10-21 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 (3 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 1/4885MCHR2 2/4885CYP3A4 3399/4885
US-20040209865-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, MCHR2, NPY1R MCHR1 1/4885MCHR2 2/4885CYP3A4 3279/4885
US-20090318439-A1 5-FUROPYRIDINONE SUBSTITUTED INDAZOLES MCHR1, PRMT5, PRMT1 MCHR1 1/4885MCHR2 6/4885CYP3A4 2482/4885

“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.