SCHEMBL1616147

SCHEMBL1616147

COc1cccc2c1C(Nc1ccc3c(NCc4c[nH]nn4)cccc3n1)CCC2

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.37
PFKFB3 Q16875 2/20 0.35
KDM4E B2RXH2 1/20 0.34
KMT2A Q03164 1/20 0.34
C5AR1 P21730 5/20 0.34
HCRTR1 O43613 3/20 0.33
HCRTR2 O43614 3/20 0.33

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
SCHEMBL1616568 0.84 ADRA1A (0.38) MCHR1PFKFB3KDM4EKMT2AC5AR1
SCHEMBL1616319 0.83 MCHR1 (0.37) MCHR1PFKFB3
SCHEMBL1614383 0.82 KDM4E (0.36) MCHR1PFKFB3KDM4EKMT2AC5AR1
SCHEMBL4115247 0.78 PFKFB3 (0.41) MCHR1PFKFB3KDM4EKMT2A
SCHEMBL1616456 0.77 RET (0.36) MCHR1PFKFB3KMT2AC5AR1HCRTR1
SCHEMBL2901745 0.76 ACP1 (0.48) KDM4EKMT2A
SCHEMBL1615734 0.74 PFKFB3 (0.39) PFKFB3KDM4EKMT2AC5AR1
SCHEMBL2905912 0.72 MCHR1 (0.39) MCHR1PFKFB3
SCHEMBL2243192 0.71 ACHE (0.42) MCHR1PFKFB3KDM4EKMT2A
SCHEMBL3412785 0.70 PFKFB3 (0.42) PFKFB3KDM4EC5AR1HCRTR1HCRTR2

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
US-7923561-B2 Quinolines HOFFMANN-LA ROCHE INC. (US) 2011-04-12 US claimed
EP-2099763-B1 2-AMINOQUINOLINES AS 5-HT(5A) RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-08-11 EP claimed
EP-2099763-A1 2-AMINOQUINOLINES AS 5-HT(5A) RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2009-09-16 EP claimed
US-20080146567-A1 QUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-19 US claimed
WO-2008068157-A1 2-AMINOQUINOLINES AS 5-HT(5A) RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2008-06-12 WO claimed
US-7923561-B2 Quinolines HOFFMANN-LA ROCHE INC. (US) 2011-04-12 US disclosed
EP-2099763-B1 2-AMINOQUINOLINES AS 5-HT(5A) RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-08-11 EP disclosed
EP-2099763-A1 2-AMINOQUINOLINES AS 5-HT(5A) RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2009-09-16 EP disclosed
US-20080146567-A1 QUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-19 US disclosed
WO-2008068157-A1 2-AMINOQUINOLINES AS 5-HT(5A) RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2008-06-12 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-20080146567-A1 QUINOLINES HTR5A, HTR2B, HTR2C MCHR1 292/4885PFKFB3 4177/4885KDM4E 1571/4885

“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.