SCHEMBL3711560

SCHEMBL3711560

CCNC(=O)c1ccc(-c2ccc(OC3CN(Cc4ccc(C(F)(F)F)cc4)C3)cn2)cc1C

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.41
CHRM4 P08173 1/20 0.41
STAT3 P40763 7/20 0.40
GPR119 Q8TDV5 1/20 0.40
P2RX7 Q99572 1/20 0.40
KDM1A O60341 1/20 0.39
HDAC1 Q13547 1/20 0.39
ADRB2 P07550 1/20 0.39
PRKAA2 P54646 1/20 0.38
SSTR5 P35346 1/20 0.38
CCR2 P41597 1/20 0.38
GSK3B P49841 1/20 0.38
HIF1A Q16665 1/20 0.38
EPAS1 Q99814 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
SCHEMBL12788268 0.92 CHRM4 (0.43) PARP1CHRM4STAT3P2RX7SSTR5
SCHEMBL3801414 0.92 CHRM2 (0.41) PARP1CHRM4STAT3GPR119P2RX7
SCHEMBL6519504 0.92 PARP1 (0.45) PARP1CHRM4STAT3GPR119ADRB2
SCHEMBL6524323 0.91 CHRM2 (0.41) PARP1CHRM4STAT3P2RX7KDM1A
SCHEMBL6524325 0.91 CHRM2 (0.41) PARP1CHRM4STAT3P2RX7KDM1A
SCHEMBL6520781 0.91 ADRB2 (0.41) PARP1CHRM4STAT3ADRB2PRKAA2
SCHEMBL3659359 0.90 STAT3 (0.43) PARP1STAT3ADRB2PRKAA2HIF1A
SCHEMBL3659855 0.89 STAT3 (0.45) STAT3ADRB2PRKAA2
SCHEMBL6520829 0.89 STAT3 (0.42) PARP1STAT3ADRB2PRKAA2
SCHEMBL6519844 0.88 ALOX5AP (0.42) PARP1STAT3ADRB2PRKAA2SSTR5

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-20110059942-A1 Azetidinyl G-Protein Coupled Receptor Agonists PROSIDION LIMITED (GB) 2011-03-10 US disclosed
US-20110059942-A1 Azetidinyl G-Protein Coupled Receptor Agonists PROSIDION LIMITED (GB) 2011-03-10 US disclosed
EP-2215077-A1 AZETIDINYL G-PROTEIN COUPLED RECEPTOR AGONISTS Prosidion Limited (GB) 2010-08-11 EP disclosed
WO-2009050522-A1 AZETIDINYL G-PROTEIN COUPLED RECEPTOR AGONISTS PROSIDION LIMITED (GB) 2009-04-23 WO disclosed
WO-2009050522-A1 AZETIDINYL G-PROTEIN COUPLED RECEPTOR AGONISTS PROSIDION LIMITED (GB) 2009-04-23 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 (1 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-20110059942-A1 Azetidinyl G-Protein Coupled Receptor Agonists GPR119, GIPR, GPR39 PARP1 4791/4885CHRM4 578/4885STAT3 1637/4885

“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.