SCHEMBL2782986

SCHEMBL2782986

COC(=O)N1CCN(c2cccc(S(C)(=O)=O)c2F)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EED O75530 1/20 0.51
PKM P14618 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
ALDH1A1 P00352 6/20 0.43
MAPT P10636 3/20 0.43
KMT2A Q03164 3/20 0.43
USP2 O75604 2/20 0.42
SMN1; SMN2 Q16637 5/20 0.41
NPSR1 Q6W5P4 2/20 0.41
GAA P10253 1/20 0.41
DRD2 P14416 1/20 0.41
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
POLB P06746 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL2783589 0.78 L3MBTL1 (0.45) PKML3MBTL1ALDH1A1MAPTKMT2A
SCHEMBL2781999 0.78 HCRTR2 (0.46) PKMKMT2AMEN1
SCHEMBL2782534 0.76 DRD2 (0.55) EEDALDH1A1MAPTSMN1; SMN2DRD2
SCHEMBL2784210 0.76 DRD2 (0.58) ALDH1A1KMT2ASMN1; SMN2DRD2MAPK1
Acetic Acid SCHEMBL27664560 0.75 HTR6 (0.50) KMT2ADRD2
SCHEMBL2785964 0.75 HTR6 (0.54) DRD2HSD17B10TSHRCYP1A2
SCHEMBL6011717 0.74 ALDH1A1 (0.52) EEDALDH1A1MAPTKMT2AMEN1
SCHEMBL2780625 0.74 DRD2 (0.75) DRD2HSD17B10
SCHEMBL25024079 0.72 KMT2A (0.51) L3MBTL1ALDH1A1MAPTKMT2APOLB
SCHEMBL29627893 0.72 KMT2A (0.51) L3MBTL1ALDH1A1MAPTKMT2APOLB

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 8 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-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 EED 2937/4885PKM 1426/4885L3MBTL1 1791/4885
US-20070149542-A1 DISUBSTITUTED PHENYLPIPERIDINES/PIPERAZINES AS MODULATORS OF DOPAMINE NEUROTRANSMISSION DRD2, DRD4, DRD1 EED 2988/4885PKM 1404/4885L3MBTL1 1615/4885

“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.