SCHEMBL1796070

SCHEMBL1796070

FC(F)(F)c1ccc(CCc2nc3cc(Br)ccc3[nH]2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 2/20 0.49
▸ NTRK1 P04629 3/20 0.47
▸ NTRK2 Q16620 3/20 0.47
▸ RAB9A P51151 3/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ IDO1 P14902 1/20 0.44
▸ PDE10A Q9Y233 1/20 0.43
▸ MEN1 O00255 1/20 0.40
▸ GFER P55789 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ MAOB P27338 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HDAC3 O15379 2/20 0.38
▸ HDAC4 P56524 2/20 0.38
▸ HDAC1 Q13547 2/20 0.38
▸ HDAC7 Q8WUI4 2/20 0.38
▸ HDAC2 Q92769 2/20 0.38
▸ HDAC10 Q969S8 2/20 0.38

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
SCHEMBL1795729 0.89 NTRK1 (0.43) TRPV1NTRK1NTRK2RAB9ANPC1
SCHEMBL1795381 0.87 NTRK1 (0.46) TRPV1NTRK1NTRK2RAB9ANPC1
SCHEMBL1795730 0.87 NTRK1 (0.46) TRPV1NTRK1NTRK2RAB9ANPC1
SCHEMBL4527615 0.80 RAB9A (0.59) RAB9ANPC1MEN1KMT2AMAOB
SCHEMBL1795731 0.80 NTRK1 (0.44) NTRK1NTRK2RAB9ANPC1MEN1
SCHEMBL13607871 0.80 FGFR2 (0.43) TRPV1NTRK1NTRK2IDO1PDE10A
SCHEMBL1797402 0.80 KMT2A (0.42) NTRK1NTRK2PDE10AKMT2AHDAC3
SCHEMBL4053513 0.77 NOS3 (0.51) TRPV1NTRK1NTRK2RAB9ANPC1
SCHEMBL4441438 0.77 RAB9A (0.47) RAB9ANPC1IDO1MEN1GFER
SCHEMBL1794101 0.75 TRPV1 (0.60) TRPV1NTRK1NTRK2RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101511797-B Benzimidazole modulators of VR1 JANSSEN PHARMACEUTICA NV 2013-01-02 — — CN disclosed
US-20110190344-A1 BENZIMIDAZOLE MODULATORS OF VR1 JANSSEN PHARMACEUTICA N.V. (BE) 2011-08-04 — — US disclosed
US-20110190364-A1 BENZIMIDAZOLE MODULATORS OF VR1 JANSSEN PHARMACEUTICA N.V. (BE) 2011-08-04 — — US disclosed
US-7951829-B2 Benzimidazole modulators of VR1 JANSSEN PHARMACEUTICA NV (BE) 2011-05-31 — — US disclosed
EP-2021330-B1 BENZIMIDAZOLE MODULATORS OF VR1 JANSSEN PHARMACEUTICA NV (BE) 2010-09-22 — — EP disclosed
US-20070259936-A1 Benzimidazole Modulators of VR1 JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-08 — — 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 (3 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-20110190364-A1 BENZIMIDAZOLE MODULATORS OF VR1 VRK1, VRK2, VIL1 TRPV1 29/4885NTRK1 2537/4885NTRK2 2593/4885
US-20070259936-A1 Benzimidazole Modulators of VR1 VRK1, VRK2, VIL1 TRPV1 29/4885NTRK1 2537/4885NTRK2 2593/4885
US-20110190344-A1 BENZIMIDAZOLE MODULATORS OF VR1 VRK1, VRK2, VIL1 TRPV1 29/4885NTRK1 2537/4885NTRK2 2593/4885

“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.

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