SCHEMBL288160

SCHEMBL288160

CSc1ccc2c(c1)CCN2c1cc(Cl)ncn1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 5/20 0.41
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
CYP17A1 P05093 1/20 0.38
HTR2A P28223 2/20 0.37
HTR2C P28335 2/20 0.37
HTR2B P41595 1/20 0.37
RXRA P19793 2/20 0.36
RXRB P28702 2/20 0.36
EIF4E P06730 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
GPR119 Q8TDV5 8/20 0.35
RXRG P48443 1/20 0.35

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
SCHEMBL288406 0.80 CYP17A1 (0.36) CYP17A1
SCHEMBL6762394 0.78 ROCK1 (0.51) ROCK1CYP17A1RXRARXRBRXRG
SCHEMBL288791 0.78 ROCK1 (0.61) ROCK1GPR119
SCHEMBL299805 0.76 RXRA (0.43) ROCK1CYP17A1RXRARXRBGPR119
SCHEMBL3238584 0.76 ROCK1 (0.47) ROCK1GPR119
SCHEMBL515085 0.75 KMT2A (0.49) ROCK1DRD4HTR2C
SCHEMBL3238555 0.75 ROCK1 (0.47) ROCK1GPR119
SCHEMBL288754 0.75 SRD5A1 (0.52) RXRARXRBGPR119
SCHEMBL288392 0.75 EIF4E (0.39) ROCK1DRD2DRD4HTR2AHTR2C
SCHEMBL27818539 0.74 ROCK1 (0.39) ROCK1CYP17A1RXRARXRBEIF4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427450-A1 GPR 119 MODULATORS Pfizer Inc. (US) 2012-03-14 EP disclosed
EP-2427448-A1 Gpr 119 modulators Pfizer Inc. (US) 2012-03-14 EP disclosed
US-20120052130-A1 GPR 119 MODULATORS PFIZER INC. 2012-03-01 US disclosed
US-20120052130-A1 GPR 119 MODULATORS PFIZER INC. 2012-03-01 US disclosed
US-20120052130-A1 GPR 119 MODULATORS PFIZER INC. 2012-03-01 US disclosed
WO-2010128414-A1 GPR 119 MODULATORS PFIZER INC. (US) 2010-11-11 WO disclosed
WO-2010128414-A1 GPR 119 MODULATORS PFIZER INC. (US) 2010-11-11 WO disclosed
WO-2010128425-A1 GPR 119 MODULATORS PFIZER INC. (US) 2010-11-11 WO disclosed
WO-2010128425-A1 GPR 119 MODULATORS PFIZER INC. (US) 2010-11-11 WO disclosed
US-20100285145-A1 GPR 119 MODULATORS PFIZER INC 2010-11-11 US disclosed
US-20100285145-A1 GPR 119 MODULATORS PFIZER INC 2010-11-11 US disclosed
US-20100285145-A1 GPR 119 MODULATORS PFIZER INC 2010-11-11 US 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-20120052130-A1 GPR 119 MODULATORS GPR119, GPR39, GPR65 ROCK1 2922/4885DRD2 1614/4885DRD4 3506/4885
US-20100285145-A1 GPR 119 MODULATORS GPR119, GPR65, GPR39 ROCK1 2613/4885DRD2 1425/4885DRD4 3613/4885

“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.