SCHEMBL3697306

SCHEMBL3697306

Fc1ccc([C@H]2CNCCN2)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRCP P42785 1/20 0.39
BMPR1B O00238 1/20 0.36
PDGFRB P09619 1/20 0.36
KDR P35968 1/20 0.36
ACVR1B P36896 1/20 0.36
TGFBR1 P36897 1/20 0.36
ACVRL1 P37023 1/20 0.36
TGFBR2 P37173 1/20 0.36
KDM1A O60341 2/20 0.36
TDP1 Q9NUW8 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
ATM Q13315 1/20 0.34

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
SCHEMBL1638495 1.00 PRCP (0.39) PRCPBMPR1BPDGFRBKDRACVR1B
SCHEMBL16644633 1.00 PRCP (0.39) PRCPBMPR1BPDGFRBKDRACVR1B
SCHEMBL14258976 0.80 BMPR1B (0.34) BMPR1BPDGFRBKDRACVR1BTGFBR1
SCHEMBL1639188 0.80 MAPT (0.43) PRCPBMPR1BPDGFRBKDRACVR1B
SCHEMBL29104079 0.80 MAPT (0.43) KDM1ATDP1HTR2AHTR2C
SCHEMBL10563871 0.80 PARP1 (0.35) BMPR1BPDGFRBKDRACVR1BTGFBR1
SCHEMBL263978 0.80 HTR3A (0.53) PRCP
SCHEMBL552751 0.80 MAPT (0.43) KDM1ATDP1HTR2AHTR2C
SCHEMBL1673686 0.80 HTR3A (0.53) PRCP
SCHEMBL9786119 0.80 MAPT (0.43) PRCPBMPR1BPDGFRBKDRACVR1B

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3177617-B1 PIPERAZINE DERIVATIVES AS LIVER X RECEPTOR MODULATORS VITAE PHARMACEUTICALS LLC (US) 2019-10-09 EP disclosed
EP-3057963-B1 PIPERAZINE DERIVATIVES AND THE USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM INT (DE) 2019-06-19 EP disclosed
US-20170226067-A1 PIPERAZINE DERIVATIVES AS LIVER X RECEPTOR MODULATORS VITAE PHARMACEUTICALS, INC. (US) 2017-08-10 US disclosed
US-20170226067-A1 PIPERAZINE DERIVATIVES AS LIVER X RECEPTOR MODULATORS VITAE PHARMACEUTICALS, INC. (US) 2017-08-10 US disclosed
WO-2016022521-A1 PIPERAZINE DERIVATIVES AS LIVER X RECEPTOR MODULATORS VITAE PHARMACEUTICALS, INC. (US) 2016-02-11 WO disclosed
US-9233953-B2 Derivatives of 4-(piperazinylcarbonyl)thiane-1, 1-dione which inhibit GlyT1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-01-12 US disclosed
WO-2015055698-A1 PIPERAZINE DERIVATIVES AND THE USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-23 WO disclosed
US-20150105397-A1 Piperazine derivatives and the use thereof as medicament BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-16 US disclosed
EP-1851199-B1 SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS AVENTIS PHARMA INC (US) 2012-05-16 EP disclosed
US-7625889-B2 Substituted bis aryl and heteroaryl compounds as selective 5HT2A antagonists AVENTIS PHARMACEUTICALS INC. (US) 2009-12-01 US disclosed
US-20080138413-A1 COMBINATION OF A HYPNOTIC AGENT AND SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUND AND THERAPEUTIC APPLICATION THEREOF AVENTIS PHARMACEUTICALS INC. (US) 2008-06-12 US disclosed
EP-1928442-A2 COMBINATION OF A HYPNOTIC AGENT AND SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUND AND THERAPEUTIC APPLICATION THEREOF Aventis Pharmaceuticals Inc. (US) 2008-06-11 EP disclosed
EP-1492794-B1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES AND THEIR USE AS DOPAMINE RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PSYCHOTIC DISORDERS LILLY CO ELI (US) 2007-12-12 EP disclosed
US-20070265309-A1 SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2007-11-15 US disclosed
US-7214673-B2 For therapy of psychosis and bipolar disorder ELI LILLY AND COMPANY (US) 2007-05-08 US disclosed
WO-2007024600-A2 COMBINATION OF A HYPNOTIC AGENT AND SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUND AND THERAPEUTIC APPLICATION THEREOF AVENTIS PHARMACEUTICALS INC. (US) 2007-03-01 WO disclosed
US-20050203296-A1 For therapy of psychosis and bipolar disorder ELI LILLY AND COMPANY 2005-09-15 US disclosed
EP-1492794-A1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES AND THEIR USE AS DOPAMINE RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PSYCHOTIC DISORDERS ELI LILLY AND COMPANY (US) 2005-01-05 EP disclosed
WO-2003082877-A1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES AND THEIR USE AS DOPAMINE RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PSYCHOTIC DISORDERS ELI LILLY AND COMPANY (US) 2003-10-09 WO disclosed
US-5053509-A Microbiocides; AIDS LABORATOIRE ROGER BELLON (FR) 1991-10-01 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 (5 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-20080138413-A1 COMBINATION OF A HYPNOTIC AGENT AND SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUND AND THERAPEUTIC APPLICATION THEREOF HCRTR1, HCRTR2, MTNR1B PRCP 2938/4885BMPR1B 973/4885PDGFRB 2379/4885
US-20150105397-A1 Piperazine derivatives and the use thereof as medicament SLC6A7, SLC7A11, SLC7A1 PRCP 800/4885BMPR1B 2778/4885PDGFRB 1382/4885
US-20070265309-A1 SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS HTR2A, HTR2B, HTR2C PRCP 2851/4885BMPR1B 553/4885PDGFRB 488/4885
US-20170226067-A1 PIPERAZINE DERIVATIVES AS LIVER X RECEPTOR MODULATORS NR1H2, NR1H3, NR1I2 PRCP 1647/4885BMPR1B 950/4885PDGFRB 552/4885
US-20050203296-A1 For therapy of psychosis and bipolar disorder DRD4, AFF4, DRD2 PRCP 3761/4885BMPR1B 940/4885PDGFRB 1838/4885

“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.