SCHEMBL83169

SCHEMBL83169

Clc1ccccc1NC1CCNCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.48
CLK4 Q9HAZ1 2/20 0.48
KMT2A Q03164 3/20 0.45
MEN1 O00255 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
PKM P14618 1/20 0.44
BRD4 O60885 1/20 0.43
ATAD2 Q6PL18 1/20 0.43
NSD2 O96028 1/20 0.41
CCNT1 O60563 1/20 0.41
CDK9 P50750 1/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPC1 O15118 1/20 0.41

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
Hydrochloric Acid SCHEMBL68901 0.98 CYP1A2 (0.47) CYP1A2CLK4KMT2AMEN1CYP2D6
SCHEMBL27645179 0.86 BRD4 (0.45) CYP1A2CLK4KMT2AMEN1CYP2D6
SCHEMBL19403829 0.82 KDM4E (0.58) KMT2ACYP2C19PKMKDM4EGAA
SCHEMBL5046395 0.81 KDM4E (0.61) KMT2AMEN1CYP2C19PKMKDM4E
SCHEMBL27644583 0.79 RAB9A (0.44) CYP1A2KMT2AMEN1CYP2C19BRD4
SCHEMBL377687 0.78 KDM4E (0.53) CYP1A2KMT2AMEN1CYP2D6CYP2C19
SCHEMBL19139395 0.78 PKM (0.47) KMT2APKMKDM4EGAAMAPT
SCHEMBL11506765 0.78 KDM4E (0.68) CYP1A2KMT2AMEN1CYP2D6CYP2C19
SCHEMBL82901 0.78 BRD4 (0.54) CYP1A2KMT2AMEN1CYP2D6BRD4
SCHEMBL13394204 0.78 CHEK2 (0.44) BRD4ATAD2NSD2KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130324556-A1 Protease Activated Receptor 2 (PAR2) Antagonists PROXIMAGEN LTD. (GB) 2013-12-05 US disclosed
EP-2668157-A1 PROTEASE ACTIVATED RECEPTOR 2 (PAR2) ANTAGONISTS Proximagen Limited (GB) 2013-12-04 EP disclosed
CN-103339108-A Protease activated receptor 2 (par2) antagonists PROXIMAGEN LTD 2013-10-02 CN disclosed
WO-2012101453-A1 PROTEASE ACTIVATED RECEPTOR 2 (PAR2) ANTAGONISTS PROXIMAGEN LTD. (GB) 2012-08-02 WO disclosed
WO-2012101453-A1 PROTEASE ACTIVATED RECEPTOR 2 (PAR2) ANTAGONISTS PROXIMAGEN LTD. (GB) 2012-08-02 WO disclosed
US-8129376-B2 Piperidine derivatives as inhibitors of stearoyl-CoA desaturase AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-03-06 US disclosed
WO-2011142359-A1 SPIRO COMPOUND AND DRUG FOR ACTIVATING ADIPONECTIN RECEPTOR 日産化学工業株式会社 (JP) 2011-11-17 WO disclosed
US-20100029648-A1 11-Beta HSD1 Inhibitors XIANG JASON SHAOYUN 2010-02-04 US disclosed
US-20100029648-A1 11-Beta HSD1 Inhibitors XIANG JASON SHAOYUN 2010-02-04 US disclosed
US-7632838-B2 11-beta HSD1 inhibitors WYETH (US) 2009-12-15 US disclosed
US-7632838-B2 11-beta HSD1 inhibitors WYETH (US) 2009-12-15 US disclosed
US-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 US disclosed
CN-100497345-C 2, 3-dihydro-6-nitroimidazolo [2,1-b] oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2009-06-10 CN disclosed
US-20070219198-A1 11-Beta HSD 1 inhibitors WYETH (US) 2007-09-20 US disclosed
US-20070219198-A1 11-Beta HSD 1 inhibitors WYETH (US) 2007-09-20 US disclosed
WO-2007092435-A2 11-BETA HSD1 INHIBITORS WYETH (US) 2007-08-16 WO disclosed
CN-1878777-A 2,3-dihydro-6-nitroimidazo (2,1-b) oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2006-12-13 CN 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 (4 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-20130324556-A1 Protease Activated Receptor 2 (PAR2) Antagonists F2RL1, F2R, F2RL3 CYP1A2 942/4885CLK4 2881/4885KMT2A 2337/4885
US-20100029648-A1 11-Beta HSD1 Inhibitors HSD11B1, HSD3B1, HSD11B2 CYP1A2 94/4885CLK4 3538/4885KMT2A 1609/4885
US-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 CYP1A2 1039/4885CLK4 2687/4885KMT2A 1352/4885
US-20070219198-A1 11-Beta HSD 1 inhibitors HSD11B1, HSD11B2, HSD3B1 CYP1A2 102/4885CLK4 3475/4885KMT2A 1591/4885

“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.