SCHEMBL1424847

SCHEMBL1424847

C=Cc1cc(C)cc(N(CC)CC)n1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
KMT2A Q03164 1/20 0.42
NOS2 P35228 1/20 0.33
CRHR1 P34998 6/20 0.33
TERT O14746 1/20 0.31
MAPT P10636 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30
GBA1 P04062 1/20 0.30

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
SCHEMBL25690079 0.88 KDM4E (0.33) KDM4EKMT2ANOS2
SCHEMBL1425406 0.82 KDM4E (0.42) KDM4EKMT2ANOS2CRHR1MAPT
SCHEMBL10816604 0.76 NOS2 (0.40) NOS2
SCHEMBL12250813 0.75 KMT2A (0.44) KDM4EKMT2ANOS2CRHR1
SCHEMBL12158270 0.72 CRHR1 (0.35) KDM4EKMT2ACRHR1
SCHEMBL1425326 0.72 KMT2A (0.59) KDM4EKMT2ACRHR1TERTMAPT
SCHEMBL27868132 0.71 NOS3 (0.31) NOS2
SCHEMBL8034894 0.70 NOS2 (0.44) KDM4EKMT2ANOS2
SCHEMBL20008337 0.68 KDM4E (0.43) KDM4EKMT2ACRHR1
SCHEMBL1425430 0.68 KDM4E (0.36) KDM4EKMT2ACRHR1ADORA2AADORA1

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-8598208-B2 Pyridine derivatives as S1P1/EDG1 receptor modulators ACTELION PHARMACEUTICALS LTD. (CH) 2013-12-03 US disclosed
US-20110212998-A1 PYRIDINE DERIVATIVES AS S1P1/EDG1 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 US disclosed
EP-2195311-B1 PYRIDINE DERIVATIVES AS S1P1/EDG1 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2011-03-23 EP disclosed
EP-2195311-A1 PYRIDINE DERIVATIVES AS S1P1/EDG1 RECEPTOR MODULATORS Actelion Pharmaceuticals Ltd. (CH) 2010-06-16 EP disclosed
WO-2009024905-A1 PYRIDINE DERIVATIVES AS S1P1/EDG1 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2009-02-26 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-20110212998-A1 PYRIDINE DERIVATIVES AS S1P1/EDG1 RECEPTOR MODULATORS S1PR1, S1PR3, S1PR2 KDM4E 919/4885KMT2A 2397/4885NOS2 2411/4885

“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.