SCHEMBL2781815

SCHEMBL2781815

CCN1CC=C(c2cccc(S(C)(=O)=O)c2F)CC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
ALOX15 P16050 1/20 0.45
DRD2 P14416 6/20 0.45
DRD4 P21917 2/20 0.45
HTR1A P08908 5/20 0.38
HTR1F P30939 2/20 0.37
HTR6 P50406 5/20 0.37
CCNT1 O60563 2/20 0.36
CDK9 P50750 2/20 0.36
SLC6A4 P31645 2/20 0.36
HTR7 P34969 2/20 0.36

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
SCHEMBL2784113 0.87 KDM4E (0.43) KDM4ELMNAALOX15DRD2DRD4
SCHEMBL2782104 0.85 KDM4E (0.45) KDM4ELMNAALOX15DRD2DRD4
SCHEMBL14373065 0.83 HTR6 (0.51) KDM4ELMNAALOX15DRD2DRD4
SCHEMBL2783358 0.80 KDM4E (0.50) KDM4ELMNAALOX15DRD2DRD4
SCHEMBL27684076 0.77 PDK4 (0.38) HTR6CCNT1CDK9
SCHEMBL3761287 0.77 KDM4E (0.47) KDM4ELMNAALOX15DRD2DRD4
SCHEMBL2783008 0.77 KDM4E (0.47) KDM4ELMNAALOX15DRD2DRD4
SCHEMBL2783655 0.77 LMNA (0.44) KDM4ELMNAALOX15DRD2DRD4
SCHEMBL2783352 0.76 PDK4 (0.49) HTR6CCNT1CDK9
SCHEMBL2782702 0.76 HTR1A (0.45) DRD2HTR1AHTR6SLC6A4HTR7

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 13 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
EP-1773772-B1 NEW DISUBSTITUTED PHENYLPIPERIDINES/PIPERAZINES AS MODULATORS OF DOPAMINE NEUROTRANSMISSION NSAB AF NEUROSEARCH SWEDEN AB (DK) 2010-06-02 EP disclosed
US-20070238878-A1 PROCESS FOR THE SYNTHESIS OF 4-(3-SULFONYLPHENYL)-PIPERIDINES NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2007-10-11 US disclosed
US-20070238878-A1 PROCESS FOR THE SYNTHESIS OF 4-(3-SULFONYLPHENYL)-PIPERIDINES NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2007-10-11 US disclosed
US-20070238878-A1 PROCESS FOR THE SYNTHESIS OF 4-(3-SULFONYLPHENYL)-PIPERIDINES NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2007-10-11 US disclosed
EP-1807394-A1 PROCESS FOR THE SYNTHESIS OF 4-(3-SULFONYLPHENYL)-PIPERIDINES Neurosearch Sweden AB (SE) 2007-07-18 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-2006040156-A1 PROCESS FOR THE SYNTHESIS OF 4-(3-SULFONYLPHENYL)-PIPERIDINES NEUROSEARCH SWEDEN AB (SE) 2006-04-20 WO 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 (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-20100256163-A1 DISUBSTITUTED PHENYLPIPERDINES/PIPERAZINES AS MODULATORS OF DOPAMINE NEUROTRANSMISSION DRD2, DRD4, DRD1 KDM4E 1510/4885LMNA 4879/4885ALOX15 4235/4885
US-20070238878-A1 PROCESS FOR THE SYNTHESIS OF 4-(3-SULFONYLPHENYL)-PIPERIDINES CAT, SQOR, CYP2B6 KDM4E 781/4885LMNA 4529/4885ALOX15 2176/4885
US-20070149542-A1 DISUBSTITUTED PHENYLPIPERIDINES/PIPERAZINES AS MODULATORS OF DOPAMINE NEUROTRANSMISSION DRD2, DRD4, DRD1 KDM4E 1739/4885LMNA 4874/4885ALOX15 4230/4885

“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.