SCHEMBL12796342

SCHEMBL12796342

O=C(c1cnc(N2CCC3(CC2)OCc2ccccc23)nc1C(F)(F)F)N1CCS(=O)(=O)CC1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 15/20 0.46
SCN9A Q15858 1/20 0.42
OXTR P30559 1/20 0.41
OPRL1 P41146 1/20 0.40
OPRD1 P41143 1/20 0.39
SPR P35270 1/20 0.39

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
SCHEMBL12796332 0.90 AVPR1A (0.46) AVPR1ASCN9AOXTROPRD1SPR
SCHEMBL10145229 0.86 AVPR1A (0.47) AVPR1ASCN9AOPRD1
SCHEMBL12795989 0.82 KDM4E (0.54) AVPR1ASCN9A
SCHEMBL541322 0.75 OPRL1 (0.41) SCN9AOPRL1
SCHEMBL12796494 0.71 CNR2 (0.51)
SCHEMBL15963529 0.70 AVPR1A (0.64) AVPR1AOXTRSPR
SCHEMBL15963090 0.69 AVPR1A (0.51) AVPR1AOXTR
SCHEMBL541568 0.69 SCD (0.48) SPR
SCHEMBL10146161 0.68 P2RY1 (0.37) OPRL1
SCHEMBL12796252 0.68 PTPN11 (0.48) SPR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130310373-A1 PYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-11-21 US disclosed
US-8524727-B2 Pyrimidine compound ASTELLAS PHARMA INC. (JP) 2013-09-03 US disclosed
US-8524727-B2 Pyrimidine compound ASTELLAS PHARMA INC. (JP) 2013-09-03 US disclosed
US-20110053912-A1 PYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-03-03 US disclosed
US-20110053912-A1 PYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-03-03 US disclosed
WO-2010113834-A1 PYRIMIDINE COMPOUND アステラス製薬株式会社 (JP) 2010-10-07 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 (2 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-20110053912-A1 PYRIMIDINE COMPOUND CNR2, CNR1, P2RY2 AVPR1A 1069/4885SCN9A 1900/4885OXTR 479/4885
US-20130310373-A1 PYRIMIDINE COMPOUND CNR2, CNR1, P2RY2 AVPR1A 930/4885SCN9A 1917/4885OXTR 330/4885

“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.