SCHEMBL1424972

SCHEMBL1424972

Cc1nc(C(=O)O)ccc1CC(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TDP1 Q9NUW8 2/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
ACMSD Q8TDX5 1/20 0.39
DPP4 P27487 2/20 0.37
DPP8 Q6V1X1 2/20 0.37
CPB2 Q96IY4 1/20 0.37
MAPT P10636 3/20 0.37
RAB9A P51151 1/20 0.37
MGAM O43451 1/20 0.37
DPP9 Q86TI2 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
MEN1 O00255 3/20 0.36
LMNA P02545 3/20 0.36
HPGD P15428 3/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 2/20 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
Hydrochloric Acid SCHEMBL1425461 0.98 KDM4E (0.47) KDM4EL3MBTL1TDP1ALOX15TSHR
SCHEMBL13933599 0.82 KDM4E (0.55) KDM4EL3MBTL1TDP1ALOX15TSHR
SCHEMBL1179166 0.81 CYP1A2 (0.54) KDM4ETSHRMAPTRAB9AGABRB2
SCHEMBL16682595 0.79 KDM4E (0.51) KDM4EL3MBTL1TDP1ALOX15TSHR
SCHEMBL1179660 0.76 GABRA1 (0.33) KDM4EGABRA1GABRB2HPGD
SCHEMBL1179662 0.76 GABRA1 (0.33) KDM4ECPB2GABRA1GABRB2HPGD
SCHEMBL12250777 0.74 KDM4E (0.50) KDM4EDPP4DPP8CPB2RAB9A
SCHEMBL28450135 0.73 KDM4E (0.42) KDM4ETDP1ALOX15TSHRMAPT
SCHEMBL15742712 0.73 CCNC (0.44) KDM4EL3MBTL1TDP1ALOX15TSHR
SCHEMBL701941 0.71 KDM4E (0.60) KDM4EL3MBTL1TDP1ALOX15TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102648198-B Pyridine derivatives as S1P1/EDG1 receptor modulators ACTELION PHARMACEUTICALS LTD 2015-04-01 CN disclosed
US-8598208-B2 Pyridine derivatives as S1P1/EDG1 receptor modulators ACTELION PHARMACEUTICALS LTD. (CH) 2013-12-03 US disclosed
CN-102648198-A Pyridine derivatives as S1P1/EDG1 receptor modulators ACTELION PHARMACEUTICALS LTD 2012-08-22 CN disclosed
US-20110212998-A1 PYRIDINE DERIVATIVES AS S1P1/EDG1 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 US disclosed
US-20110212998-A1 PYRIDINE DERIVATIVES AS S1P1/EDG1 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 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-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
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 919/4885L3MBTL1 4451/4885TDP1 716/4885

“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.