SCHEMBL1795381

SCHEMBL1795381

CC(C)(C)c1ccc(CCc2nc3cc(Br)ccc3[nH]2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 6/20 0.46
▸ NTRK2 Q16620 4/20 0.46
▸ RAB9A P51151 3/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ PDE10A Q9Y233 1/20 0.43
▸ KMT2A Q03164 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ GFER P55789 1/20 0.42
▸ TRPV1 Q8NER1 2/20 0.42
▸ FGFR1 P11362 1/20 0.40
▸ FLT3 P36888 1/20 0.40
▸ CLK4 Q9HAZ1 1/20 0.40
▸ MAPT P10636 3/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ GPR84 Q9NQS5 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ HDAC3 O15379 2/20 0.38
▸ HDAC4 P56524 2/20 0.38
▸ HDAC1 Q13547 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
SCHEMBL1797402 0.92 KMT2A (0.42) NTRK1NTRK2PDE10AKMT2AFGFR1
SCHEMBL1796070 0.87 TRPV1 (0.49) NTRK1NTRK2RAB9ANPC1PDE10A
SCHEMBL1795729 0.84 NTRK1 (0.43) NTRK1NTRK2RAB9ANPC1PDE10A
SCHEMBL1795730 0.82 NTRK1 (0.46) NTRK1NTRK2RAB9ANPC1KMT2A
SCHEMBL1796993 0.80 TRPV1 (0.46) NTRK1NTRK2RAB9ANPC1PDE10A
SCHEMBL1800091 0.77 TRPV1 (0.46) NTRK1NTRK2RAB9ANPC1PDE10A
SCHEMBL1795731 0.77 NTRK1 (0.44) NTRK1NTRK2RAB9ANPC1KMT2A
SCHEMBL1801847 0.77 TRPV1 (0.55) NTRK1NTRK2RAB9ANPC1PDE10A
SCHEMBL6367636 0.77 HDAC6 (0.48) NTRK1NTRK2RAB9ANPC1PDE10A
SCHEMBL422523 0.76 HDAC3 (0.41) NTRK1NTRK2KMT2AMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110190364-A1 BENZIMIDAZOLE MODULATORS OF VR1 JANSSEN PHARMACEUTICA N.V. (BE) 2011-08-04 — — US disclosed
US-20110190344-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
EP-2021330-A2 BENZIMIDAZOLE MODULATORS OF VR1 Janssen Pharmaceutica, N.V. (BE) 2009-02-11 — — EP disclosed
WO-2007130780-A2 BENZIMIDAZOLE MODULATORS OF VR1 JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-15 — — WO 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 NTRK1 2537/4885NTRK2 2593/4885RAB9A 3985/4885
US-20070259936-A1 Benzimidazole Modulators of VR1 VRK1, VRK2, VIL1 NTRK1 2537/4885NTRK2 2593/4885RAB9A 3985/4885
US-20110190344-A1 BENZIMIDAZOLE MODULATORS OF VR1 VRK1, VRK2, VIL1 NTRK1 2537/4885NTRK2 2593/4885RAB9A 3985/4885

“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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