SCHEMBL846065

SCHEMBL846065

CC(C)(CCc1ccccc1)c1ccc(Br)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.41
KMT2A Q03164 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
TAAR1 Q96RJ0 4/20 0.39
MGLL Q99685 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HDAC3 O15379 2/20 0.39
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
RAB9A P51151 2/20 0.37
GPR52 Q9Y2T5 1/20 0.37
NPC1 O15118 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
SCHEMBL3962014 0.86 TAAR1 (0.52) TAAR1TDP1SMN1; SMN2HTR2A
SCHEMBL26156409 0.85 SLC13A5 (0.44) KMT2ASIGMAR1TAAR1HTR2A
SCHEMBL8683336 0.83 NPC1 (0.44) KMT2ATAAR1TDP1RAB9AGPR52
SCHEMBL28895961 0.81 ESR1 (0.52) HSP90AA1KMT2ATAAR1TDP1
SCHEMBL9587633 0.78 CYP1A2 (0.44) TAAR1RAB9AGPR52SMN1; SMN2
SCHEMBL12815449 0.78 TAAR1 (0.39) TAAR1TDP1RAB9ANPC1SMN1; SMN2
SCHEMBL846142 0.76 FFAR1 (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6546946 0.76 TAAR1 (0.45) KMT2ATAAR1TDP1GPR52
SCHEMBL6286868 0.75 TAAR1 (0.48) KMT2ASIGMAR1TAAR1
SCHEMBL27479368 0.75 DRD2 (0.41) TAAR1TDP1HDAC3HDAC4HDAC1

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 HSP90AA1 2773/4885KMT2A 2415/4885SIGMAR1 67/4885
US-20080300236-A1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR TRPV1, OPRL1, TRPV2 HSP90AA1 2773/4885KMT2A 2415/4885SIGMAR1 67/4885

“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.