SCHEMBL6523323

SCHEMBL6523323

CC1(C)CCN(c2ncc(C(=O)N3CCOCC3)c(C(F)(F)F)n2)c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 10/20 0.44
NR1H2 P55055 1/20 0.43
CNR2 P34972 1/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
OPRM1 P35372 1/20 0.40
OPRL1 P41146 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
P2RY1 P47900 2/20 0.38
LMNA P02545 1/20 0.38
SLC6A9 P48067 1/20 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
SCHEMBL541323 0.88 P2RY1 (0.38) PDE4BNR1H2HPGDOPRL1KDM4E
SCHEMBL541322 0.88 OPRL1 (0.41) PDE4BNR1H2OPRL1KDM4EALDH1A1
SCHEMBL10146161 0.87 P2RY1 (0.37) PDE4BNR1H2OPRL1KDM4EALDH1A1
SCHEMBL12796019 0.86 RXRA (0.43) NR1H2CNR2OPRM1OPRL1KDM4E
SCHEMBL12795984 0.83 ALDH1A1 (0.50) NR1H2CNR2KDM4EALDH1A1P2RY1
SCHEMBL12796505 0.82 TSHR (0.48) NR1H2CNR2TP53HPGDTSHR
SCHEMBL10145795 0.81 NR1H2 (0.43) NR1H2CNR2TP53HPGDTSHR
SCHEMBL12796228 0.80 NR1H2 (0.43) NR1H2CNR2TP53HPGDTSHR
SCHEMBL12796510 0.80 NR1H2 (0.45) PDE4BNR1H2CNR2TP53HPGD
SCHEMBL10146157 0.80 NR1H2 (0.42) NR1H2CNR2TP53HPGDTSHR

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 10 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-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-8524727-B2 Pyrimidine compound ASTELLAS PHARMA INC. (JP) 2013-09-03 US disclosed
EP-2415765-A1 PYRIMIDINE COMPOUND Astellas Pharma Inc. (JP) 2012-02-08 EP 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
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 PDE4B 2476/4885NR1H2 286/4885CNR2 1/4885
US-20130310373-A1 PYRIMIDINE COMPOUND CNR2, CNR1, P2RY2 PDE4B 2742/4885NR1H2 401/4885CNR2 1/4885

“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.