SCHEMBL317468

SCHEMBL317468

Cc1cc(OC2CCCC2)cc(-c2ccccc2)n1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 11/20 0.48
ADORA1 P30542 4/20 0.44
ADORA2A P29274 2/20 0.44
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
ATM Q13315 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
CDK4 P11802 1/20 0.39
EGFR P00533 1/20 0.39
PDE4D Q08499 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
SCHEMBL317418 0.79 MCL1 (0.51) GRM5ADORA1ADORA2AADORA3
Methane SCHEMBL21731293 0.71 GRM5 (0.43) GRM5
SCHEMBL28331914 0.71 PDGFRB (0.43) GRM5ADORA2AKMT2AMEN1MAPT
SCHEMBL1829827 0.69 HRH1 (0.65) TSHR
SCHEMBL17379469 0.69 GRM5 (0.62) GRM5
SCHEMBL14927901 0.69 ADORA2A (0.55) ADORA1ADORA2AKMT2AMEN1MAPT
SCHEMBL10231904 0.69 NAAA (0.57) KMT2AMEN1TSHREGFR
SCHEMBL12247661 0.68 GRM5 (0.45) GRM5
SCHEMBL3848271 0.68 KMT2A (0.53) ADORA1ADORA2AKMT2AMEN1MAPT
SCHEMBL316979 0.68 MEN1 (0.58) ADORA1ADORA2AKMT2AMEN1MAPT

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
EP-2081903-B1 2-AMINOCARBONYL-PYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2014-05-07 EP disclosed
US-8093250-B2 2-aminocarbonyl-pyridine derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-01-10 US disclosed
US-20100035895-A1 2-AMINOCARBONYL-PYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-02-11 US disclosed
EP-2081903-A2 2-AMINOCARBONYL-PYRIDINE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2009-07-29 EP disclosed
WO-2008044217-A2 2-AMINOCARBONYL-PYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-04-17 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-20100035895-A1 2-AMINOCARBONYL-PYRIDINE DERIVATIVES P2RY12, P2RY2, P2RY1 GRM5 558/4885ADORA1 29/4885ADORA2A 26/4885

“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.