SCHEMBL2145272

SCHEMBL2145272

Fc1ccccc1C1CCCNC1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.45
CHRNB2 P17787 1/20 0.45
CHRNA4 P43681 1/20 0.45
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44
HTR1A P08908 1/20 0.43
SLC6A2 P23975 1/20 0.43
HTR2A P28223 1/20 0.43

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 SCHEMBL567764 0.98 HTR6 (0.44) HTR6CHRNB2CHRNA4DRD2DRD3
SCHEMBL27880809 0.89 HTR1A (0.50) CHRNB2CHRNA4HTR1ASLC6A2
SCHEMBL3333986 0.89 HTR1A (0.50) CHRNB2CHRNA4HTR1ASLC6A2
SCHEMBL29698867 0.89 HTR1A (0.50) CHRNB2CHRNA4HTR1ASLC6A2
Hydrochloric Acid SCHEMBL3932246 0.87 HTR1A (0.49) CHRNB2CHRNA4HTR1ASLC6A2
Hydrochloric Acid SCHEMBL30467185 0.87 HTR1A (0.49) CHRNB2CHRNA4HTR1ASLC6A2
SCHEMBL12812338 0.81 CHRNB2 (0.45) CHRNB2CHRNA4DRD2DRD3SLC6A2
Bromide SCHEMBL566685 0.81 IKBKB (0.48) CHRNB2CHRNA4DRD2DRD3
SCHEMBL23161513 0.81 CHRNB2 (0.58) CHRNB2CHRNA4HTR1ASLC6A2
Hydrochloric Acid SCHEMBL31159069 0.79 CHRNB2 (0.56) CHRNB2CHRNA4HTR1ASLC6A2

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
US-20180009780-A1 PIPERIDINE AND AZEPINE DERIVATIVES AS PROKINETICIN RECEPTOR MODULATORS TAKEDA PHARMACEUTICALS CO (JP) 2018-01-11 US disclosed
CN-105452233-B Piperidine and azepane derivatives as prokineticin receptor modulators 武田药品工业株式会社 2017-12-08 CN disclosed
US-9790201-B2 Piperidine and azepine derivatives as prokineticin receptor modulators TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-10-17 US disclosed
US-9790201-B2 Piperidine and azepine derivatives as prokineticin receptor modulators TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-10-17 US disclosed
US-20160185752-A1 PIPERIDINE AND AZEPINE DERIVATIVES AS PROKINETICIN RECEPTOR MODULATORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-30 US disclosed
US-20160185752-A1 PIPERIDINE AND AZEPINE DERIVATIVES AS PROKINETICIN RECEPTOR MODULATORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-30 US disclosed
CN-105452233-A Piperidine and azepane derivatives as prokineticin receptor modulators TAKEDA PHARMACEUTICALS CO 2016-03-30 CN disclosed
CN-102753538-B Sultam derivatives HOFFMANN LA ROCHE 2015-04-08 CN disclosed
WO-2015019103-A1 PIPERIDINE AND AZEPINE DERIVATIVES AS PROKINETICIN RECEPTOR MODULATORS TAKEDA CAMBRIDGE LIMITED (GB) 2015-02-12 WO disclosed
CN-101842369-B 2, 3-dihydrobenzo [1,4] dioxin-2-ylmethyl derivatives as alpha 2C antagonists for the treatment of peripheral and central nervous system disorders ORION CORP 2014-01-22 CN disclosed
CN-102753538-A Sultam derivatives HOFFMANN LA ROCHE 2012-10-24 CN disclosed
CN-102282138-A Inhibitors of diacylglycerol acyltransferase 2011-12-14 CN disclosed
US-20110224136-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE MERCK SHARP & DOHME CORP 2011-09-15 US disclosed
EP-2346853-A2 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE Schering Corporation (US) 2011-07-27 EP disclosed
CN-101842369-A 2, 3-dihydrobenzo [1, 4] dioxin-2-ylmethyl derivatives as alpha 2C antagonists for the treatment of peripheral and central nervous system disorders ORION CORP 2010-09-22 CN disclosed
WO-2010059606-A2 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE SCHERING CORPORATION (US) 2010-05-27 WO disclosed
EP-1991540-A1 CINNOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS Amgen Inc. (US) 2008-11-19 EP disclosed
WO-2007098214-A1 CINNOLINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2007-08-30 WO 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-20110224136-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE DGAT2, DGAT1, LCAT HTR6 2305/4885CHRNB2 4851/4885CHRNA4 4638/4885
US-20160185752-A1 PIPERIDINE AND AZEPINE DERIVATIVES AS PROKINETICIN RECEPTOR MODULATORS GIPR, PROKR1, PROKR2 HTR6 65/4885CHRNB2 307/4885CHRNA4 188/4885
US-20180009780-A1 PIPERIDINE AND AZEPINE DERIVATIVES AS PROKINETICIN RECEPTOR MODULATORS GIPR, PROKR1, PROKR2 HTR6 70/4885CHRNB2 308/4885CHRNA4 188/4885

“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.