SCHEMBL3282976

SCHEMBL3282976

CCc1cc(C(=O)NNC(=O)c2cc(C)nc(N(CC)CC)c2)cc(C)c1OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.40
S1PR3 Q99500 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
MAPT P10636 6/20 0.38
TAOK1 Q7L7X3 1/20 0.38
TAOK3 Q9H2K8 1/20 0.38
TP53 P04637 4/20 0.37
NOX1 Q9Y5S8 1/20 0.37
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
PTGER1 P34995 1/20 0.36
PTGER4 P35408 1/20 0.36
PTGER3 P43115 1/20 0.36
PTGER2 P43116 1/20 0.36
KDM5A P29375 1/20 0.36
KDM4C Q9H3R0 1/20 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
SCHEMBL261974 0.79 MAPT (0.50) SMN1; SMN2MRGPRX4LMNAHPGDMAPT
SCHEMBL262674 0.77 MEN1 (0.56) SMN1; SMN2MRGPRX4LMNAHPGDTP53
SCHEMBL3277355 0.76 S1PR1 (0.59) S1PR1S1PR3TSHRSMN1; SMN2LMNA
SCHEMBL3276567 0.76 S1PR1 (0.45) S1PR1S1PR3TSHRSMN1; SMN2MRGPRX4
SCHEMBL2538906 0.74 TAS1R3 (0.44) SMN1; SMN2MRGPRX4LMNAHPGDMAPT
SCHEMBL3215538 0.73 TAOK1 (0.41) S1PR1S1PR3TSHRSMN1; SMN2LMNA
SCHEMBL3092429 0.72 LMNA (0.45) SMN1; SMN2MRGPRX4LMNAHPGDTAOK1
SCHEMBL3097756 0.72 TAOK1 (0.43) TSHRSMN1; SMN2LMNAHPGDTAOK1
SCHEMBL1424802 0.70 CRHR1 (0.43) TSHRSMN1; SMN2HPGDMAPTTP53
SCHEMBL13293412 0.70 BRD4 (0.56) SMN1; SMN2LMNAHPGDTAOK1TAOK3

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-2125797-B1 AMINO- PYRIDINE DERIVATIVES AS S1P1 /EDG1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2014-01-15 EP disclosed
US-8592460-B2 Amino-pyridine derivatives as S1P1 /EDG1 receptor agonists ACTELION PHARMACEUTICALS LTD. (CH) 2013-11-26 US disclosed
US-20100087417-A1 AMINO-PYRIDINE DERIVATIVES AS S1P1 /EDG1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2010-04-08 US disclosed
EP-2125797-A1 AMINO- PYRIDINE DERIVATIVES AS S1P1 /EDG1 RECEPTOR AGONISTS Actelion Pharmaceuticals Ltd. (CH) 2009-12-02 EP disclosed
WO-2008114157-A1 AMINO- PYRIDINE DERIVATIVES AS S1P1 /EDG1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2008-09-25 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-20100087417-A1 AMINO-PYRIDINE DERIVATIVES AS S1P1 /EDG1 RECEPTOR AGONISTS S1PR1, S1PR3, S1PR4 S1PR1 1/4885S1PR3 2/4885TSHR 1036/4885

“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.