SCHEMBL2967256

SCHEMBL2967256

O=c1cc(OCc2ccc(C(F)(F)F)cc2)ccn1-c1ccc2c(cnn2CCN2CCCC2)c1

nearest known ligand 0.79

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 20/20 0.79
KCNH2 Q12809 9/20 0.79
CYP3A4 P08684 3/20 0.79
CYP2C19 P33261 1/20 0.72

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
Hydrochloric Acid SCHEMBL2963032 0.99 MCHR1 (0.78) MCHR1KCNH2CYP3A4CYP2C19
SCHEMBL12339978 0.91 MCHR1 (0.83) MCHR1KCNH2CYP3A4CYP2C19
SCHEMBL12340391 0.90 MCHR1 (0.82) MCHR1KCNH2CYP3A4CYP2C19
Hydrochloric Acid SCHEMBL2955497 0.90 MCHR1 (0.82) MCHR1KCNH2CYP3A4CYP2C19
SCHEMBL12339973 0.89 MCHR1 (0.83) MCHR1KCNH2CYP3A4CYP2C19
SCHEMBL12340341 0.89 MCHR1 (0.83) MCHR1KCNH2CYP3A4CYP2C19
SCHEMBL12340338 0.89 MCHR1 (0.83) MCHR1KCNH2CYP3A4
SCHEMBL539304 0.89 MCHR1 (1.00) MCHR1KCNH2CYP3A4
Hydrochloric Acid SCHEMBL2958017 0.88 MCHR1 (0.82) MCHR1KCNH2CYP3A4CYP2C19
SCHEMBL12340388 0.88 MCHR1 (0.82) MCHR1KCNH2CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268868-B2 5-pyridinone substituted indazoles ALBANY MOLECULAR RESEARCH, INC. (US) 2012-09-18 US disclosed
US-8268868-B2 5-pyridinone substituted indazoles ALBANY MOLECULAR RESEARCH, INC. (US) 2012-09-18 US disclosed
US-8268868-B2 5-pyridinone substituted indazoles ALBANY MOLECULAR RESEARCH, INC. (US) 2012-09-18 US disclosed
US-20100105679-A1 5-PYRIDINONE SUBSTITUTED INDAZOLES ALBANY MOLECULAR RESEARCH, INC. (US) 2010-04-29 US disclosed
US-20100105679-A1 5-PYRIDINONE SUBSTITUTED INDAZOLES ALBANY MOLECULAR RESEARCH, INC. (US) 2010-04-29 US disclosed
US-20100105679-A1 5-PYRIDINONE SUBSTITUTED INDAZOLES ALBANY MOLECULAR RESEARCH, INC. (US) 2010-04-29 US disclosed
EP-2121654-A1 5-PYRIDINONE SUBSTITUTED INDAZOLES Albany Molecular Research, Inc. (US) 2009-11-25 EP disclosed
WO-2008086404-A1 5-PYRIDINONE SUBSTITUTED INDAZOLES ALBANY MOLECULAR RESEARCH, INC. (US) 2008-07-17 WO disclosed
WO-2008086404-A1 5-PYRIDINONE SUBSTITUTED INDAZOLES ALBANY MOLECULAR RESEARCH, INC. (US) 2008-07-17 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 (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-20100105679-A1 5-PYRIDINONE SUBSTITUTED INDAZOLES CYP3A5, PDXK, PNPO MCHR1 4525/4885KCNH2 917/4885CYP3A4 8/4885

“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.