SCHEMBL845852

SCHEMBL845852

O=C(CCc1ccc(CC2CCCCC2)cc1)Nc1cnc2ccccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
HDAC1 Q13547 7/20 0.55
HDAC2 Q92769 7/20 0.55
HDAC6 Q9UBN7 7/20 0.55
HDAC3 O15379 6/20 0.55
HDAC10 Q969S8 6/20 0.55
HDAC4 P56524 5/20 0.55
HDAC7 Q8WUI4 5/20 0.55
HDAC11 Q96DB2 5/20 0.55
HDAC8 Q9BY41 5/20 0.55
HDAC9 Q9UKV0 5/20 0.55
HDAC5 Q9UQL6 5/20 0.55
TRPV1 Q8NER1 8/20 0.53
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 1/20 0.51
FAAH O00519 1/20 0.49
NPC1 O15118 1/20 0.49
TP53 P04637 1/20 0.49
RAB9A P51151 1/20 0.49

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
SCHEMBL846356 0.89 MEN1 (0.54) MEN1KMT2AHDAC1HDAC2HDAC6
SCHEMBL845885 0.86 TRPV1 (0.73) MEN1KMT2AHDAC1HDAC2HDAC6
SCHEMBL846491 0.85 TRPV1 (0.71) HDAC6TRPV1KDM4EALDH1A1NPC1
SCHEMBL845947 0.84 MEN1 (0.56) MEN1KMT2AHDAC1HDAC2HDAC6
SCHEMBL846355 0.84 TRPV1 (0.71) MEN1KMT2AHDAC1HDAC2HDAC6
SCHEMBL6702776 0.83 MEN1 (0.55) MEN1KMT2AHDAC1HDAC2HDAC6
SCHEMBL13991492 0.83 HDAC1 (0.72) MEN1KMT2AHDAC1HDAC2HDAC6
SCHEMBL846564 0.82 MEN1 (0.58) MEN1KMT2AHDAC1HDAC2HDAC6
SCHEMBL846840 0.81 NPC1 (0.64) MEN1KMT2AHDAC1HDAC2HDAC6
SCHEMBL846042 0.81 NPC1 (0.64) MEN1KMT2AHDAC1HDAC2HDAC6

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-8394828-B2 Quinoline-derived amide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA, NV (BE) 2013-03-12 US claimed
EP-1603883-B1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2012-03-28 EP claimed
US-20080300236-A1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR CODD ELLEN 2008-12-04 US claimed
US-20040192728-A1 Quinoline-derived amide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2004-09-30 US claimed
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-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-20040192728-A1 Quinoline-derived amide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2004-09-30 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 (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 MEN1 4610/4885KMT2A 2415/4885HDAC1 1481/4885
US-20080300236-A1 QUINOLINE-DERIVED AMIDE MODULATORS OF VANILLOID VR1 RECEPTOR TRPV1, OPRL1, TRPV2 MEN1 4610/4885KMT2A 2415/4885HDAC1 1481/4885

“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.