SCHEMBL2783589

SCHEMBL2783589

COC(=O)N1CCN(c2cccc(SC)c2F)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.45
ALDH1A1 P00352 5/20 0.44
MAPT P10636 3/20 0.44
KMT2A Q03164 4/20 0.44
USP2 O75604 2/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
NPSR1 Q6W5P4 2/20 0.42
MEN1 O00255 2/20 0.42
MAPK1 P28482 2/20 0.42
GAA P10253 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PKM P14618 1/20 0.41
HTT P42858 2/20 0.41
TSHR P16473 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
LMNA P02545 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
SCHEMBL2782986 0.78 EED (0.51) L3MBTL1ALDH1A1MAPTKMT2AUSP2
SCHEMBL2783783 0.73 HTR1A (0.51) HSD17B10TSHRCYP1A2CYP2C9
SCHEMBL19962180 0.73 SMN1; SMN2 (0.60) L3MBTL1ALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL2784014 0.72 PDK4 (0.45) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL23368541 0.72 ADRA2C (0.56) L3MBTL1ALDH1A1MAPTKMT2AUSP2
SCHEMBL25024079 0.71 KMT2A (0.51) L3MBTL1ALDH1A1MAPTKMT2ALMNA
SCHEMBL29627893 0.71 KMT2A (0.51) L3MBTL1ALDH1A1MAPTKMT2ALMNA
SCHEMBL12957576 0.70 TP53 (0.51) ALDH1A1MAPTKMT2AUSP2SMN1; SMN2
SCHEMBL25003034 0.68 MAPT (0.51) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL31640089 0.68 SMARCA2 (0.53) ALDH1A1MAPTLMNA

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 L3MBTL1 1791/4885ALDH1A1 1194/4885MAPT 847/4885
US-20070149542-A1 DISUBSTITUTED PHENYLPIPERIDINES/PIPERAZINES AS MODULATORS OF DOPAMINE NEUROTRANSMISSION DRD2, DRD4, DRD1 L3MBTL1 1615/4885ALDH1A1 1189/4885MAPT 820/4885

“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.