SCHEMBL2782702

SCHEMBL2782702

CCCN1CC=C(c2cccc(S(C)(=O)=O)c2Cl)CC1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 10/20 0.45
DRD2 P14416 8/20 0.44
HTR6 P50406 8/20 0.43
SLC6A4 P31645 7/20 0.42
HTR7 P34969 7/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL2782104 0.90 KDM4E (0.45) HTR1ADRD2HTR6SLC6A4HTR7
SCHEMBL3766147 0.82 PPARG (0.52) HTR1ADRD2HTR6PPARGPPARA
SCHEMBL2781815 0.76 KDM4E (0.45) HTR1ADRD2HTR6SLC6A4HTR7
SCHEMBL4827565 0.73 DRD2 (0.53) HTR1ADRD2HTR6SIGMAR1
SCHEMBL3772285 0.72 CCNT1 (0.44) HTR1ADRD2SIGMAR1
SCHEMBL2781703 0.71 DRD2 (0.75) HTR1ADRD2HTR6HTR7SIGMAR1
SCHEMBL27887860 0.70 KDM4E (0.44) HTR1ADRD2HTR6SLC6A4HTR7
SCHEMBL18396148 0.70 DRD2 (0.49) HTR1ADRD2HTR6SIGMAR1
SCHEMBL2928327 0.70 SIGMAR1 (0.51) HTR6HTR7PPARGPPARASIGMAR1
SCHEMBL2782275 0.69 DRD2 (0.55) DRD2HTR6SLC6A4SIGMAR1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8314126-B2 Disubstituted phenylpiperdines/piperazines as modulators of dopamine neurotransmission NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2012-11-20 US disclosed
US-20100256163-A1 DISUBSTITUTED PHENYLPIPERDINES/PIPERAZINES AS MODULATORS OF DOPAMINE NEUROTRANSMISSION SANIONA AB (DK) 2010-10-07 US disclosed
US-7763639-B2 Disubstituted phenylpiperidines/piperazines as modulators of dopamine neurotransmission NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2010-07-27 US disclosed
EP-2204363-A1 New disubstituted phenylpiperidines/piperazines as modulators of dopamine neurotransmission NSAB, Filial af NeuroSearch Sweden AB, Sverige (DK) 2010-07-07 EP disclosed
US-20070149542-A1 DISUBSTITUTED PHENYLPIPERIDINES/PIPERAZINES AS MODULATORS OF DOPAMINE NEUROTRANSMISSION SANIONA AB (DK) 2007-06-28 US disclosed
EP-1773772-A1 NEW DISUBSTITUTED PHENYLPIPERIDINES/PIPERAZINES AS MODULATORS OF DOPAMINE NEUROTRANSMISSION A. CARLSSON RESEARCH AB (SE) 2007-04-18 EP disclosed
WO-2005121087-A1 NEW DISUBSTITUTED PHENYLPIPERIDINES/PIPERAZINES AS MODULATORS OF DOPAMINE NEUROTRANSMISSION A. CARLSSON RESEARCH AB (SE) 2005-12-22 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-20100256163-A1 DISUBSTITUTED PHENYLPIPERDINES/PIPERAZINES AS MODULATORS OF DOPAMINE NEUROTRANSMISSION DRD2, DRD4, DRD1 HTR1A 26/4885DRD2 1/4885HTR6 95/4885
US-20070149542-A1 DISUBSTITUTED PHENYLPIPERIDINES/PIPERAZINES AS MODULATORS OF DOPAMINE NEUROTRANSMISSION DRD2, DRD4, DRD1 HTR1A 27/4885DRD2 1/4885HTR6 109/4885

“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.