SCHEMBL2396688

SCHEMBL2396688

COc1ccccc1C1=CCN(Cc2ccccc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.57
DRD2 P14416 7/20 0.57
HTR2A P28223 3/20 0.55
HTT P42858 1/20 0.55
CCNT1 O60563 1/20 0.55
CDK9 P50750 1/20 0.55
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
KDM4E B2RXH2 1/20 0.51
MAPT P10636 1/20 0.51
PARP1 P09874 1/20 0.51
PPARG P37231 1/20 0.50
PPARA Q07869 1/20 0.50
OPRM1 P35372 1/20 0.50
OPRK1 P41145 1/20 0.50

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
SCHEMBL6179323 0.88 CCNT1 (0.67) HTR1ADRD2HTR2AHTTCCNT1
SCHEMBL7884097 0.86 MEN1 (0.55) HTR1ADRD2HTR2AHTTCCNT1
SCHEMBL5246497 0.86 OPRM1 (0.59) HTR1ADRD2HTR2AHTTCCNT1
SCHEMBL6829563 0.86 KMT2A (0.47) HTR1ADRD2CCNT1CDK9MEN1
SCHEMBL6929156 0.86 DRD2 (0.60) HTR1ADRD2HTR2AHTTCCNT1
SCHEMBL7886668 0.85 DRD2 (0.54) HTR1ADRD2HTR2AHTTCCNT1
SCHEMBL6929163 0.85 DRD2 (0.52) HTR1ADRD2HTR2AHTTCCNT1
SCHEMBL614054 0.84 DRD2 (0.53) HTR1ADRD2HTR2AHTTCCNT1
SCHEMBL6180652 0.82 PPARG (0.52) HTR1ADRD2HTR2ACCNT1CDK9
SCHEMBL2395487 0.82 DRD2 (0.59) 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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8013157-B2 Synthesis of unsaturated piperidines from piperidones with a silyl reagent JANSSEN PHARMACEUTICA NV (BE) 2011-09-06 US disclosed
US-8013157-B2 Synthesis of unsaturated piperidines from piperidones with a silyl reagent JANSSEN PHARMACEUTICA NV (BE) 2011-09-06 US disclosed
US-8013157-B2 Synthesis of unsaturated piperidines from piperidones with a silyl reagent JANSSEN PHARMACEUTICA NV (BE) 2011-09-06 US disclosed
US-20100324292-A1 SYNTHESIS OF UNSATURATED PIPERIDINES FROM PIPERIDONES WITH A SILYL REAGENT NEELAKANDHA MANI S 2010-12-23 US disclosed
US-20100324292-A1 SYNTHESIS OF UNSATURATED PIPERIDINES FROM PIPERIDONES WITH A SILYL REAGENT NEELAKANDHA MANI S 2010-12-23 US disclosed
US-20100324292-A1 SYNTHESIS OF UNSATURATED PIPERIDINES FROM PIPERIDONES WITH A SILYL REAGENT NEELAKANDHA MANI S 2010-12-23 US disclosed
US-7772245-B2 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS, INC. (US) 2010-08-10 US disclosed
EP-2120572-A1 SYNTHESIS OF UNSATURATED PIPERIDINES FROM PIPERIDONES WITH A SILYL REAGENT Janssen Pharmaceutica, N.V. (BE) 2009-11-25 EP disclosed
WO-2008079255-A1 SYNTHESIS OF UNSATURATED PIPERIDINES FROM PIPERIDONES WITH A SILYL REAGENT JANSSEN PHARMACEUTICA N.V. (BE) 2008-07-03 WO disclosed
WO-2008079255-A1 SYNTHESIS OF UNSATURATED PIPERIDINES FROM PIPERIDONES WITH A SILYL REAGENT JANSSEN PHARMACEUTICA N.V. (BE) 2008-07-03 WO disclosed
EP-1851219-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF HISTONE DEACETYLASE Miikana Therapeutics, Inc. (US) 2007-11-07 EP disclosed
CN-100345833-C Modulators of dopamine neurotransmission CARLSSON RES AB (SE) 2007-10-31 CN disclosed
US-20060199829-A1 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS, INC. 2006-09-07 US disclosed
WO-2006088949-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF HISTONE DEACETYLASE MIIKANA THERAPEUTICS, INC. (US) 2006-08-24 WO disclosed
CN-1255382-C Novel modulators of dopamine neurotransmission CARLSSON A RESEARCH AB (SE) 2006-05-10 CN disclosed
CN-1765890-A Modulators of dopamine neurotransmission CARLSSON RES AB (SE) 2006-05-03 CN disclosed
US-20040034104-A1 2,2-Diphenylbutanamide derivatives and medicines containing the same SSP CO., LTD. (JP) 2004-02-19 US disclosed
EP-1325912-A1 2,2-DIPHENYLBUTANAMIDE DERIVATIVES AND MEDICINES CONTAINING THE SAME SSP Co., Ltd. (JP) 2003-07-09 EP disclosed
CN-1420869-A Novel modulators of dopamine neurotransmission CARLSSON A RESEARCH AB (SE) 2003-05-28 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 (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-20100324292-A1 SYNTHESIS OF UNSATURATED PIPERIDINES FROM PIPERIDONES WITH A SILYL REAGENT THPO, DHPS, PIR HTR1A 1595/4885DRD2 109/4885HTR2A 782/4885
US-20060199829-A1 Inhibitors of histone deacetylase HDAC1, HDAC2, HDAC11 HTR1A 2576/4885DRD2 4152/4885HTR2A 1672/4885
US-20040034104-A1 2,2-Diphenylbutanamide derivatives and medicines containing the same OPRD1, OPRM1, OPRK1 HTR1A 170/4885DRD2 48/4885HTR2A 231/4885

“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.