SCHEMBL787918

SCHEMBL787918

c1csc(C2CNCCN2)n1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
HTR2C P28335 2/20 0.34
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
NOS3 P29474 1/20 0.31
NOS2 P35228 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
NOS1 P29475 1/20 0.30
HSD17B10 Q99714 1/20 0.30
PARP1 P09874 1/20 0.30

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 SCHEMBL4573925 0.98 CHRM2 (0.38) CHRM2CHRM1CHRM3HTR2CROCK2
SCHEMBL7750646 0.85
SCHEMBL18903009 0.85
SCHEMBL551606 0.78 CHRNB2 (0.43) CHRM2CHRM1CHRM3
Hydrochloric Acid SCHEMBL19259428 0.76 CHRNB2 (0.42) CHRM2CHRM1CHRM3HTR2C
SCHEMBL978739 0.76 MEN1 (0.45) CHRM2CHRM1CHRM3HTR2CTSHR
SCHEMBL11131656 0.75 HTR2C (0.38) CHRM2CHRM1CHRM3HTR2CNOS3
SCHEMBL31370737 0.73 CHRM2 (0.46) CHRM2CHRM1CHRM3HTR2C
SCHEMBL3645858 0.73 CHRM2 (0.46) CHRM2CHRM1CHRM3HTR2C
SCHEMBL8600489 0.72 BAZ2A (0.37) HTR2CNOS3NOS2

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
EP-2963028-B1 PIPERAZINE DERIVATIVES AND THEIR PHARMACEUTICAL USE ATIR HOLDING S A (LU) 2018-08-01 EP disclosed
US-9278957-B2 Piperazine, piperidine and tetrahydropyridine derivatives and their pharmaceutical use ATIR HOLDING S.A. (LU) 2016-03-08 US disclosed
EP-2963028-A1 PIPERAZINE DERIVATIVES AND THEIR PHARMACEUTICAL USE Atir Holding S.A. (LU) 2016-01-06 EP disclosed
EP-2435414-B1 PIPERAZINE, PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE ATIR HOLDING S A (LU) 2015-08-19 EP disclosed
US-20150099784-A1 PIPERAZINE, PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE GROEN AERONAUTICS CORPORATION 2015-04-09 US disclosed
US-8912196-B2 Piperazine, piperidine and tetrahydropyridine derivatives and their pharmaceutical use ATIR HOLDING S.A. (LU) 2014-12-16 US disclosed
US-20120071487-A1 PIPERAZINE, PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE ATIR HOLDING S.A. 2012-03-22 US disclosed
EP-2406243-A1 BENZOFURAN DERIVATIVES Takeda Pharmaceutical Company Limited (JP) 2012-01-18 EP disclosed
EP-2274288-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS Incyte Corporation (US) 2011-01-19 EP disclosed
WO-2010137018-A1 PIPERAZINE, PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE ATIR HOLDING S.A. (LU) 2010-12-02 WO disclosed
WO-2010104194-A1 BENZOFURAN DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-16 WO disclosed
WO-2009132202-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-10-29 WO disclosed
EP-1513836-A1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2005-03-16 EP disclosed
EP-1419150-A2 PHENYLSULFONYL-1,3-DIHYDRO-2H-INDOLE-2-ONE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC USE Sanofi-Aventis (FR) 2004-05-19 EP disclosed
WO-2003104226-A1 PIPERAZINYLACYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-SYNTHELABO (FR) 2003-12-18 WO disclosed
WO-2003101994-A1 FUSED BICYCLIC AROMATIC COMPOUNDS THAT ARE USEFUL IN TREATING SEXUAL DYSFUNCTION ABBOTT LABORATORIES (US) 2003-12-11 WO disclosed
WO-2003008407-A2 PHENYLSULFONYL-1,3-DIHYDRO-2H-INDOLE-2-ONE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC USE SANOFI-SYNTHELABO (FR) 2003-01-30 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 (2 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-20150099784-A1 PIPERAZINE, PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE DPYD, BRPF3, BRPF1 CHRM2 2099/4885CHRM1 2387/4885CHRM3 1993/4885
US-20120071487-A1 PIPERAZINE, PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE DPYD, BRPF3, BRPF1 CHRM2 2099/4885CHRM1 2387/4885CHRM3 1993/4885

“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.