SCHEMBL2274860

SCHEMBL2274860

Cc1cc(C#N)c(OC2CN(C(=O)OC(C)(C)C)C2)cc1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.40
LMNA P02545 1/20 0.39
PDE4B Q07343 6/20 0.39
TBK1 Q9UHD2 2/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
CACNB4 O00305 1/20 0.36
CACNA1A O00555 1/20 0.36
CACNA1G O43497 1/20 0.36
CACNG3 O60359 1/20 0.36
CACNA1F O60840 1/20 0.36
CACNA1H O95180 1/20 0.36
CACNB3 P54284 1/20 0.36
CACNA2D1 P54289 1/20 0.36
CACNG7 P62955 1/20 0.36
CACNA1B Q00975 1/20 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
SCHEMBL2277773 0.86 USP30 (0.44) GPR119PDE4BTBK1
SCHEMBL17631454 0.84 AAK1 (0.46) GPR119PDE4BTBK1
SCHEMBL2273793 0.83 GPR119 (0.44) GPR119PDE4BTBK1CACNB4CACNA1A
SCHEMBL17645008 0.82 AAK1 (0.45) GPR119PDE4BTBK1
SCHEMBL3817206 0.80 NR1H2 (0.47) GPR119PDE4BTBK1ALDH1A1NR1H2
SCHEMBL25324128 0.77 GPR119 (0.42) GPR119PDE4BCACNB4CACNA1ACACNA1G
SCHEMBL38660667 0.77 PDE4B (0.47) GPR119PDE4BTBK1MEN1ALDH1A1
SCHEMBL18348317 0.76 TBK1 (0.52) GPR119PDE4BTBK1
SCHEMBL2582474 0.76 LMNA (0.47) GPR119LMNAPDE4BTBK1MEN1
SCHEMBL20934896 0.76 GPR119 (0.40) GPR119LMNATBK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8957059-B2 Modulators of serotonin receptors JANSSEN PHARMACEUTICA NV (BG) 2015-02-17 US disclosed
US-20140038934-A1 MODULATORS OF SEROTONIN RECEPTORS JANSSEN PHARMACEUTICA NV (US) 2014-02-06 US disclosed
US-8575364-B2 Modulators of serotonin receptor JANSSEN PHARMACEUTICA NV (BE) 2013-11-05 US disclosed
US-20110207709-A1 MODULATORS OF SEROTONIN RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2011-08-25 US disclosed
WO-2010059390-A1 MODULATORS OF SEROTONIN RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2010-05-27 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-20140038934-A1 MODULATORS OF SEROTONIN RECEPTORS HTR1A, HTR2A, HTR6 GPR119 45/4885LMNA 4225/4885PDE4B 1998/4885
US-20110207709-A1 MODULATORS OF SEROTONIN RECEPTOR HTR1A, HTR6, HTR2A GPR119 48/4885LMNA 4240/4885PDE4B 2057/4885

“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.