SCHEMBL317652

SCHEMBL317652

COC1CCN(c2cc[n+]([O-])cc2F)C1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACACB O00763 12/20 0.35
USP30 Q70CQ3 4/20 0.34
NOTUM Q6P988 1/20 0.33
AOC3 Q16853 1/20 0.32

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
SCHEMBL316452 0.73 PDE1B (0.33) ACACBNOTUM
SCHEMBL317170 0.72 ROCK2 (0.42) ACACBAOC3
SCHEMBL30149942 0.71 NOTUM (0.42) ACACBUSP30NOTUM
SCHEMBL15676577 0.71 NOTUM (0.42) ACACBUSP30NOTUM
SCHEMBL21654277 0.71 ACACB (0.52) ACACB
SCHEMBL13538964 0.70 ACACB (0.43) ACACBUSP30
SCHEMBL21654087 0.70 LIPG (0.42) ACACB
SCHEMBL21638151 0.68 GAA (0.49) ACACB
SCHEMBL30398231 0.68 GAA (0.49) ACACB
SCHEMBL21638153 0.68 GAA (0.49) ACACB

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 ACACB 1328/4885USP30 4330/4885NOTUM 4706/4885

“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.