SCHEMBL12796019

SCHEMBL12796019

CC1(C)CCN(c2ncc(C(=O)O)c(C(F)(F)F)n2)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
P2RY1 P47900 2/20 0.42
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
SMO Q99835 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
OPRL1 P41146 3/20 0.37
PTPN11 Q06124 1/20 0.37
RBP4 P02753 2/20 0.36
KDM4C Q9H3R0 1/20 0.35
CNR2 P34972 1/20 0.35
OPRM1 P35372 1/20 0.35
XPO1 O14980 1/20 0.35
JUN P05412 1/20 0.35
NFKB1 P19838 1/20 0.35

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
SCHEMBL12795984 0.89 ALDH1A1 (0.50) RXRARXRBRXRGP2RY1HCRTR1
SCHEMBL6523323 0.86 PDE4B (0.44) P2RY1ALDH1A1KDM4ENR1H2OPRL1
SCHEMBL541322 0.85 OPRL1 (0.41) RXRARXRBRXRGP2RY1HCRTR1
SCHEMBL541323 0.85 P2RY1 (0.38) RXRARXRBRXRGP2RY1HCRTR1
SCHEMBL10146161 0.83 P2RY1 (0.37) RXRARXRBRXRGP2RY1HCRTR1
SCHEMBL10145276 0.78 ALDH1A1 (0.46) RXRARXRBRXRGP2RY1HCRTR1
SCHEMBL10145229 0.71 AVPR1A (0.47)
SCHEMBL12796048 0.68 PTPN11 (0.57) HCRTR1HCRTR2SMOALDH1A1KDM4E
SCHEMBL12796000 0.68 ALDH1A1 (0.54) P2RY1HCRTR1HCRTR2ALDH1A1KDM4E
SCHEMBL3835074 0.66 ATF1 (0.48) HCRTR1HCRTR2SMOALDH1A1KDM4E

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 RXRA 258/4885RXRB 356/4885RXRG 297/4885
US-20130310373-A1 PYRIMIDINE COMPOUND CNR2, CNR1, P2RY2 RXRA 320/4885RXRB 399/4885RXRG 328/4885

“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.