SCHEMBL316367

SCHEMBL316367

COC1CCN(c2cc(C(=O)O)nc(-c3ccccc3)c2F)C1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.45
TTR P02766 8/20 0.44
RBP4 P02753 5/20 0.41
SCD5 Q86SK9 3/20 0.41
NAMPT P43490 1/20 0.40
P2RY12 Q9H244 1/20 0.40
NAPEPLD Q6IQ20 1/20 0.39
SCD O00767 2/20 0.39
GRIA1 P42261 2/20 0.38
KLKB1 P03952 1/20 0.38
PIN1 Q13526 2/20 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
SCHEMBL315943 0.80 HPGD (0.39) HPGDNAMPTGRIA1
SCHEMBL3059830 0.78 P2RY12 (0.59) HPGDTTRRBP4P2RY12NAPEPLD
SCHEMBL29521457 0.78 P2RY12 (0.59) HPGDTTRRBP4P2RY12NAPEPLD
SCHEMBL316816 0.78 P2RY12 (0.49) HPGDTTRSCD5P2RY12
SCHEMBL316815 0.78 P2RY12 (0.49) HPGDTTRSCD5P2RY12
SCHEMBL2921143 0.78 P2RY12 (0.59) HPGDTTRRBP4P2RY12NAPEPLD
SCHEMBL29521263 0.77 P2RY12 (0.58) HPGDTTRRBP4P2RY12NAPEPLD
SCHEMBL3062229 0.75 P2RY12 (0.50) TTRRBP4P2RY12NAPEPLD
SCHEMBL3062233 0.75 P2RY12 (0.50) TTRRBP4P2RY12NAPEPLD
SCHEMBL18694038 0.74 CFTR (0.58) HPGD

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 HPGD 1203/4885TTR 1956/4885RBP4 1935/4885

“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.