SCHEMBL316452

SCHEMBL316452

COC1CCN(c2cc[n+]([O-])c(-c3ccccc3)c2F)C1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE1B Q01064 1/20 0.33
ACACB O00763 3/20 0.33
NOTUM Q6P988 2/20 0.32
FFAR2 O15552 1/20 0.32
ADORA2A P29274 1/20 0.31
F11 P03951 1/20 0.31
KLKB1 P03952 1/20 0.31
SYK P43405 1/20 0.31
DRD2 P14416 2/20 0.31
HTR2A P28223 2/20 0.31
HTR2C P28335 2/20 0.31
GRIA1 P42261 2/20 0.31
NTSR1 P30989 3/20 0.31

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
SCHEMBL317652 0.73 ACACB (0.35) ACACBNOTUM
SCHEMBL15676577 0.72 NOTUM (0.42) ACACBNOTUMF11KLKB1DRD2
SCHEMBL30149942 0.72 NOTUM (0.42) ACACBNOTUMF11KLKB1DRD2
SCHEMBL15676606 0.70 KLKB1 (0.46) ACACBNOTUMF11KLKB1
SCHEMBL13913011 0.68 NOTUM (0.36) PDE1BNOTUMFFAR2NTSR1
SCHEMBL13486520 0.68 NOTUM (0.50) ACACBNOTUMFFAR2DRD2NTSR1
SCHEMBL315943 0.68 HPGD (0.39) SYKGRIA1NTSR1
SCHEMBL316367 0.68 HPGD (0.45) KLKB1GRIA1
SCHEMBL21668750 0.67 NOTUM (0.54) NOTUMNTSR1
SCHEMBL7949976 0.66 CARM1 (0.37) PDE1BNOTUMFFAR2NTSR1

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 PDE1B 982/4885ACACB 1328/4885NOTUM 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.