SCHEMBL12250798

SCHEMBL12250798

Cc1cnc(N(C)C(C)C)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 1/20 0.42
▸ NOS1 P29475 1/20 0.42
▸ NOS2 P35228 1/20 0.42
▸ APLNR P35414 3/20 0.39
▸ LATS1 O95835 2/20 0.37
▸ CCR1 P32246 1/20 0.33
▸ CCR5 P51681 1/20 0.33
▸ CCR8 P51685 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ GLP1R P43220 1/20 0.33
▸ CXCR4 P61073 1/20 0.32
▸ PSMD14 O00487 1/20 0.31
▸ COPS5 Q92905 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ LATS2 Q9NRM7 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
SCHEMBL16158780 0.81 GLP1R (0.41) NOS3NOS1NOS2APLNRLATS1
SCHEMBL15061923 0.79 NOS3 (0.54) NOS3NOS1NOS2APLNRCCR1
SCHEMBL12250800 0.78 S1PR1 (0.38) NOS3NOS1NOS2APLNRKMT2A
SCHEMBL1187426 0.75 KDM4E (0.43) LATS1KMT2ACYP1A2
SCHEMBL12250797 0.72 NOS3 (0.42) NOS3NOS1NOS2LATS1CCR1
SCHEMBL12250799 0.69 NOS3 (0.43) NOS3NOS1NOS2CCR1CCR5
SCHEMBL25583605 0.69 NOS3 (0.39) NOS3NOS1NOS2CCR1CCR5
SCHEMBL19447026 0.68 CRHR1 (0.40) NOS3NOS1NOS2
SCHEMBL14818774 0.68 NOS3 (0.42) NOS3NOS1NOS2LATS1KMT2A
SCHEMBL20086563 0.68 NOS3 (0.38) NOS3NOS1NOS2APLNRCCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 NOS3 2145/4885NOS1 1194/4885NOS2 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.

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