SCHEMBL1967142

SCHEMBL1967142

c1ccc(CCNCC2CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.56
HRH1 P35367 1/20 0.56
SIGMAR1 Q99720 5/20 0.53
MAPT P10636 2/20 0.53
GAA P10253 1/20 0.53
EPHX2 P34913 1/20 0.53
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
POLB P06746 1/20 0.49
MPO P05164 1/20 0.49
ADRA1D P25100 1/20 0.48
ADRA1A P35348 1/20 0.48
ADRA1B P35368 1/20 0.48
CXCR4 P61073 1/20 0.47
DPP7 Q9UHL4 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47

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
SCHEMBL17667739 0.92 EPHX2 (0.58) HTR2AHRH1SIGMAR1MAPTGAA
SCHEMBL4686477 0.91 HTR2A (0.49) HTR2AHRH1SIGMAR1MAPTGAA
SCHEMBL14934945 0.91 HTR2A (0.49) HTR2AHRH1SIGMAR1MAPTGAA
SCHEMBL10032819 0.91 EPHX2 (0.65) HTR2AHRH1SIGMAR1MAPTGAA
SCHEMBL21257794 0.91 EPHX2 (0.65) HTR2AHRH1SIGMAR1MAPTGAA
SCHEMBL4073277 0.89 SIGMAR1 (0.64) HTR2AHRH1SIGMAR1MPO
SCHEMBL25008394 0.87 SIGMAR1 (0.63) HTR2AHRH1SIGMAR1
SCHEMBL7279244 0.86 ADRB2 (0.67) HRH1MAPTGAAMEN1KMT2A
Bromide SCHEMBL10436176 0.84 ADRB2 (0.65) HRH1MAPTGAAMEN1KMT2A
SCHEMBL20822469 0.82 SIGMAR1 (0.57) HTR2AHRH1SIGMAR1MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2661436-B1 NOVEL SULFAMIDE PIPERAZINE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS AND PHARMACEUTICAL USE THEREOF LEO PHARMA AS (DK) 2016-04-13 EP claimed
US-7560460-B2 Substituted piperazines and methods of use AMGEN INC. (US) 2009-07-14 US claimed
EP-1417190-B1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEN INC (US) 2008-10-22 EP claimed
EP-1416933-B8 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEN INC (US) 2008-08-27 EP claimed
EP-1416933-B1 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEM INC (US) 2008-01-02 EP claimed
US-20070265248-A1 Substituted piperazines and methods of use AMGEN INC. (US) 2007-11-15 US claimed
US-7115607-B2 Substituted piperazinyl amides and methods of use AMGEN INC. (US) 2006-10-03 US claimed
US-6977264-B2 Substituted piperidines and methods of use AMGEN INC. (US) 2005-12-20 US claimed
EP-1417190-A1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR Amgen Inc. (US) 2004-05-12 EP claimed
EP-1416933-A1 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR Amgem, Inc. (US) 2004-05-12 EP claimed
US-20040006067-A1 Substituted piperidines and methods of use AMGEN INC. 2004-01-08 US claimed
US-20030220324-A1 Substituted piperazines and methods of use AMGEN INC. 2003-11-27 US claimed
WO-2003009847-A1 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEM, INC. (US) 2003-02-06 WO claimed
WO-2003009850-A1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEN INC. (US) 2003-02-06 WO claimed
EP-0068998-A1 (Z)-1-aryl-2-aminomethyl-cyclopropane-carboxylates, their preparation and their use as medicines in the treatment of various disorders PIERRE FABRE S.A. (FR) 1983-01-05 EP claimed
WO-2019144132-A1 ESTROGEN RECEPTOR-MODULATING COMPOUNDS RADIUS PHARMACEUTICALS, INC. (US) 2019-07-25 WO disclosed
EP-2661436-A1 NOVEL SULFAMIDE PIPERAZINE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS AND PHARMACEUTICAL USE THEREOF Leo Pharma A/S (DK) 2013-11-13 EP disclosed
WO-2003009850-A1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEN INC. (US) 2003-02-06 WO disclosed
WO-2003009847-A1 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEM, INC. (US) 2003-02-06 WO disclosed
EP-0068998-A1 (Z)-1-aryl-2-aminomethyl-cyclopropane-carboxylates, their preparation and their use as medicines in the treatment of various disorders PIERRE FABRE S.A. (FR) 1983-01-05 EP 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-20030220324-A1 Substituted piperazines and methods of use MC5R, MC4R, MC1R HTR2A 79/4885HRH1 316/4885SIGMAR1 277/4885
US-20070265248-A1 Substituted piperazines and methods of use MC5R, MC4R, MC1R HTR2A 79/4885HRH1 316/4885SIGMAR1 277/4885
US-20040006067-A1 Substituted piperidines and methods of use MC4R, MC5R, MC1R HTR2A 152/4885HRH1 355/4885SIGMAR1 255/4885

“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.