SCHEMBL373815

SCHEMBL373815

O=C(O)c1ccc2c(C3=CCN(Cc4ccccc4)CC3)c[nH]c2c1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 13/20 0.71
DRD2 P14416 13/20 0.71
HTR2A P28223 5/20 0.71
HTT P42858 1/20 0.71
OPRM1 P35372 1/20 0.64
OPRK1 P41145 1/20 0.64
KDM4E B2RXH2 2/20 0.53
ALOX15 P16050 2/20 0.53
APEX1 P27695 1/20 0.53
KMT2A Q03164 1/20 0.53
HSD17B10 Q99714 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
LMNA P02545 1/20 0.52

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
SCHEMBL13944353 0.88 DRD2 (0.79) HTR1ADRD2HTR2AHTTOPRM1
SCHEMBL974322 0.88 HTR1A (0.62) HTR1ADRD2HTR2AHTTOPRM1
SCHEMBL373816 0.85 HTR1A (0.67) HTR1ADRD2HTR2AHTTOPRM1
SCHEMBL3243578 0.85 HTR1A (0.58) HTR1ADRD2HTR2AHTTOPRM1
SCHEMBL7543848 0.83 HTR1A (1.00) HTR1ADRD2HTR2AHTTOPRM1
SCHEMBL3236122 0.83 HTR1A (0.56) HTR1ADRD2HTR2AHTTOPRM1
SCHEMBL11786344 0.81 HTR1A (0.85) HTR1ADRD2HTR2AHTTOPRM1
SCHEMBL374018 0.80 HTR1A (0.65) HTR1ADRD2HTR2AHTTOPRM1
Fumaric Acid SCHEMBL9764481 0.80 OPRM1 (0.65) HTR1ADRD2HTR2AHTTOPRM1
Maleic Acid SCHEMBL9764477 0.80 OPRM1 (0.65) HTR1ADRD2HTR2AHTTOPRM1

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
CN-104069112-A Substituted piperidino-dihydrothienopyrimidines BOEHRINGER INGELHEIM INT 2014-10-01 CN disclosed
EP-2610258-B1 Substituted piperidino dihydrothieno pyrimidines BOEHRINGER INGELHEIM INT (DE) 2014-08-27 EP disclosed
EP-2610258-B1 Substituted piperidino dihydrothieno pyrimidines BOEHRINGER INGELHEIM INT (DE) 2014-08-27 EP disclosed
CN-101827852-B Substituted piperidino-dihydrothienopyrimidines BOEHRINGER INGELHEIM INT 2014-07-30 CN disclosed
US-8754073-B2 Substituted piperazino-dihydrothienopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-17 US disclosed
US-8754073-B2 Substituted piperazino-dihydrothienopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-17 US disclosed
EP-2380891-B1 Substituted piperidino-dihydrothienopyrimidines BOEHRINGER INGELHEIM INT (DE) 2013-12-11 EP disclosed
EP-2610258-A1 Substituted piperidino dihydrothieno pyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-03 EP disclosed
EP-2215092-B1 SUBSTITUTED PIPERIDINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INT (DE) 2012-01-25 EP disclosed
EP-2380891-A1 Substituted piperidino-dihydrothienopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-26 EP disclosed
US-20110021501-A1 SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-27 US disclosed
CN-101827852-A Substituted piperidino-dihydrothienopyrimidines BOEHRINGER INGELHEIM INT 2010-09-08 CN disclosed
EP-2215092-A1 SUBSTITUTED PIPERIDINO-DIHYDROTHIENOPYRIMIDINES Boehringer Ingelheim International GmbH (DE) 2010-08-11 EP disclosed
EP-2069331-B1 1H-INDOL-6-YL-PIPERAZIN-1-YL-METHANONE-DERIVATIVES FOR USE AS H3 RECEPTOR MODULATORS HOFFMANN LA ROCHE (CH) 2010-05-05 EP disclosed
EP-2069331-A1 1H-INDOL-6-YL-PIPERAZIN-1-YL-METHANONE-DERIVATIVES FOR USE AS H3 RECEPTOR MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2009-06-17 EP disclosed
WO-2009050248-A1 SUBSTITUTED PIPERIDINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-23 WO disclosed
WO-2009050248-A1 SUBSTITUTED PIPERIDINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-23 WO disclosed
US-7514433-B2 1H-indole-6-yl-piperazin-1-yl-methanone derivatives HOFFMANN-LA ROCHE INC. (US) 2009-04-07 US disclosed
US-20080032976-A1 1H-indole-6-yl-piperazin-1-yl-methanone derivatives F. HOFFMANN-LA ROCHE AG (CH) 2008-02-07 US disclosed
WO-2008015125-A1 1H-INDOL-6-YL-PIPERAZIN-1-YL-METHANONE-DERIVATIVES FOR USE AS H3 RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2008-02-07 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-20110021501-A1 SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES DPYD, P2RX1, P2RX5 HTR1A 1613/4885DRD2 1834/4885HTR2A 2741/4885
US-20080032976-A1 1H-indole-6-yl-piperazin-1-yl-methanone derivatives HTR6, HTR1A, HRH4 HTR1A 2/4885DRD2 452/4885HTR2A 34/4885

“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.