SCHEMBL845574

SCHEMBL845574

COC(=O)CCc1ccc2c(c1)CCN2C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.44
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 3/20 0.42
TSHR P16473 1/20 0.42
MEN1 O00255 1/20 0.39
NOTUM Q6P988 1/20 0.39
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 2/20 0.38
HCN4 Q9Y3Q4 1/20 0.38
THRB P10828 1/20 0.38
NPC1 O15118 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
IDH1 O75874 3/20 0.37
DPP4 P27487 1/20 0.37
DPP8 Q6V1X1 1/20 0.37

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
SCHEMBL847197 0.77 ALDH1A1 (0.52) KMT2AALDH1A1MEN1MAPTNPC1
SCHEMBL845811 0.73 MEN1 (0.49) KMT2AALDH1A1MEN1NOTUMMAPT
SCHEMBL16595935 0.73 RXRB (0.48) HRH3ALDH1A1TSHRL3MBTL1NPC1
SCHEMBL847119 0.73 TTR (0.44) ALDH1A1MAPT
SCHEMBL847120 0.73 TTR (0.44) ALDH1A1MAPT
SCHEMBL25014907 0.72 PTPN1 (0.44) HRH3KMT2AALDH1A1MAPT
SCHEMBL845758 0.71 KDM4E (0.46) ALDH1A1L3MBTL1MAPTRAB9A
SCHEMBL28365114 0.71 DRD1 (0.46) HRH3
SCHEMBL3680833 0.70 ALDH1A1 (0.44) HRH3KMT2AALDH1A1MEN1MAPT
SCHEMBL10503367 0.69 NUDT1 (0.62) HRH3KMT2AALDH1A1MEN1THRB

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-8394828-B2 Quinoline-derived amide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA, NV (BE) 2013-03-12 US disclosed
US-8394828-B2 Quinoline-derived amide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA, NV (BE) 2013-03-12 US disclosed
US-8394828-B2 Quinoline-derived amide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA, NV (BE) 2013-03-12 US disclosed
EP-1603883-B1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2012-03-28 EP disclosed
EP-1603883-B1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2012-03-28 EP disclosed
EP-2308848-A1 Quinoline-derived amide modulators of vanilloid VR1 receptor Janssen Pharmaceutica NV (BE) 2011-04-13 EP disclosed
EP-2308848-A1 Quinoline-derived amide modulators of vanilloid VR1 receptor Janssen Pharmaceutica NV (BE) 2011-04-13 EP disclosed
US-20080300236-A1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR CODD ELLEN 2008-12-04 US disclosed
US-20080300236-A1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR CODD ELLEN 2008-12-04 US disclosed
US-20080300236-A1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR CODD ELLEN 2008-12-04 US disclosed
EP-1603883-A2 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2005-12-14 EP disclosed
US-20040192728-A1 Quinoline-derived amide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2004-09-30 US disclosed
WO-2004069792-A2 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (US) 2004-08-19 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-20040192728-A1 Quinoline-derived amide modulators of vanilloid VR1 receptor TRPV1, OPRL1, TRPV2 HRH3 97/4885HTR2C 279/4885HTR2B 428/4885
US-20080300236-A1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR TRPV1, OPRL1, TRPV2 HRH3 97/4885HTR2C 279/4885HTR2B 428/4885

“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.