SCHEMBL904495

SCHEMBL904495

Cc1ccc(-c2ncccc2Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.47
AURKB Q96GD4 1/20 0.47
INCENP Q9NQS7 1/20 0.47
TRPV1 Q8NER1 6/20 0.47
CNR2 P34972 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 4/20 0.42
TDP1 Q9NUW8 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HSD11B1 P28845 1/20 0.40
COMT P21964 1/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
HPGD P15428 2/20 0.40
CYP1A2 P05177 1/20 0.39

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
SCHEMBL2975854 0.81 CNR2 (0.46) TRPV1CNR2L3MBTL1KDM4EALDH1A1
SCHEMBL4188475 0.81 CNR2 (0.55) TRPV1CNR2NPC1RAB9A
SCHEMBL3872091 0.80 TRPV1 (0.78) TRPV1NPC1RAB9ASMN1; SMN2
SCHEMBL29400553 0.80 TRPV1 (0.47) TRPV1CNR2CYP1A2CYP2C19
SCHEMBL3875827 0.80 CNR2 (0.46) TRPV1CNR2KDM4EALDH1A1TDP1
SCHEMBL16695328 0.80 TRPV1 (0.47) TRPV1CNR2CYP1A2CYP2C19
SCHEMBL28484816 0.80 TRPV1 (0.47) TRPV1CNR2KDM4EALDH1A1MAPT
SCHEMBL15638862 0.79 RORB (0.46) CNR2
SCHEMBL30343535 0.79 TRPV1 (0.46) TRPV1CNR2ALDH1A1NPC1RAB9A
SCHEMBL31223211 0.79 CNR2 (0.45) TRPV1CNR2L3MBTL1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2742940-B1 Fumarate salt of (R)-3-(6-(4-methylphenyl)-pyridin-3-yloxy)-l-aza-bicyclo-[2.2.2]octane for adminstration once daily, twice daily or thrice daily IP GES FÜR MAN MBH (DE) 2017-07-26 EP disclosed
EP-2621915-B1 NOVEL METHOD OF PREPARING BENZOIMIDAZOLE DERIVATIVES DAE WOONG PHARMA (KR) 2016-04-20 EP disclosed
US-9199965-B2 Benzoimidazole derivatives and pharmaceutical composition comprising the same DAEWOONG CO., LTD. (KR) 2015-12-01 US disclosed
US-9040572-B2 Method of preparing benzoimidazole derivatives DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2015-05-26 US disclosed
US-9040572-B2 Method of preparing benzoimidazole derivatives DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2015-05-26 US disclosed
US-9040572-B2 Method of preparing benzoimidazole derivatives DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2015-05-26 US disclosed
CN-103180308-B Process for preparing benzimidazole derivatives DAE WOONG PHARMA 2015-04-08 CN disclosed
EP-1861387-B1 BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF DAE WOONG PHARMA (KR) 2014-04-16 EP disclosed
US-20130231477-A1 NOVEL METHOD OF PREPARING BENZOIMIDAZOLE DERIVATIVES DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2013-09-05 US disclosed
US-20130231477-A1 NOVEL METHOD OF PREPARING BENZOIMIDAZOLE DERIVATIVES DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2013-09-05 US disclosed
US-20130231477-A1 NOVEL METHOD OF PREPARING BENZOIMIDAZOLE DERIVATIVES DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2013-09-05 US disclosed
EP-2621915-A2 NOVEL METHOD OF PREPARING BENZOIMIDAZOLE DERIVATIVES Daewoong Pharmaceutical Co., Ltd (KR) 2013-08-07 EP disclosed
CN-103180308-A Novel process for preparing benzimidazole derivatives DAE WOONG PHARMA 2013-06-26 CN disclosed
EP-1836200-B1 BENZISOTHIAZOLE-1, 1-DIOXIDE ACTING AS ANTAGONISTS TO THE VANILLOID RECEPTOR SUBTYPE 1 (VR1) AND USES THEREOF ABBOTT LAB (US) 2012-05-16 EP disclosed
WO-2012044043-A2 NOVEL METHOD OF PREPARING BENZOIMIDAZOLE DERIVATIVES DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2012-04-05 WO disclosed
US-7615570-B2 Antagonists to the vanilloid receptor subtype 1 (VR1) and uses thereof ABBOTT LABORATORIES (US) 2009-11-10 US disclosed
US-20090018124-A1 Novel Benzoimidazole Derivatives and Pharmaceutical Composition Comprising the Same DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2009-01-15 US disclosed
US-20060148867-A1 Antagonists to the vanilloid receptor subtype 1 (VR1) and uses thereof ABBVIE INC. 2006-07-06 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-20060148867-A1 Antagonists to the vanilloid receptor subtype 1 (VR1) and uses thereof AVPR1A, AVPR1B, AVPR2 SYK 2902/4885AURKB 4207/4885INCENP 4884/4885
US-20090018124-A1 Novel Benzoimidazole Derivatives and Pharmaceutical Composition Comprising the Same TRPV1, TRPA1, BDKRB2 SYK 3122/4885AURKB 2640/4885INCENP 4855/4885
US-20130231477-A1 NOVEL METHOD OF PREPARING BENZOIMIDAZOLE DERIVATIVES BRD1, BRD4, VAT1 SYK 1805/4885AURKB 1366/4885INCENP 3671/4885

“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.