SCHEMBL2782196

SCHEMBL2782196

CC(=O)c1cccc(-c2ccncc2)c1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
MAPK14 Q16539 1/20 0.43
TRPV3 Q8NET8 1/20 0.43
ADORA2B P29275 2/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
HTT P42858 3/20 0.41
KAT6A Q92794 1/20 0.40
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
ABL1 P00519 1/20 0.39
CLK2 P49760 2/20 0.38
TYK2 P29597 2/20 0.38
CSNK1A1 P48729 1/20 0.38
CSNK1D P48730 1/20 0.38
CSNK1G1 Q9HCP0 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
NOD2 Q9HC29 1/20 0.38

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
SCHEMBL2782245 0.83 CDC7 (0.50) CLK2CSNK1DCDC7IKBKBCHUK
SCHEMBL27684062 0.83 PDK2 (0.41) ALDH1A1MAPK14ADORA2BADORA3ADORA2A
SCHEMBL9208056 0.82 ALDH1A1 (0.58) ALDH1A1HTTCLK2TYK2CSNK1A1
SCHEMBL2781854 0.82 ALDH1A1 (0.41) ALDH1A1MAPK14ADORA2BADORA3ADORA2A
SCHEMBL1395221 0.81 ALDH1A1 (0.46) ALDH1A1MAPK14ADORA2BHTTCLK2
Bromide SCHEMBL28360787 0.77 ALDH1A1 (0.60) ALDH1A1HTTCYP46A1IKBKBCHUK
SCHEMBL2645320 0.73 MAPK14 (0.54) ALDH1A1MAPK14ADORA2BADORA3ADORA2A
SCHEMBL6708324 0.73 CDC7 (0.47) ALDH1A1MAPK14ADORA2BADORA3ADORA2A
SCHEMBL2650659 0.72 PIK3CD (0.38) ALDH1A1MAPK14ADORA2BADORA3ADORA2A
SCHEMBL3637569 0.72 NPC1 (0.46) MAPK14HTTTYK2CSNK1DJAK2

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 ALDH1A1 1194/4885MAPK14 1781/4885TRPV3 691/4885
US-20070149542-A1 DISUBSTITUTED PHENYLPIPERIDINES/PIPERAZINES AS MODULATORS OF DOPAMINE NEUROTRANSMISSION DRD2, DRD4, DRD1 ALDH1A1 1189/4885MAPK14 2051/4885TRPV3 461/4885

“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.