Sugi Predict

Sugi Predict / Compounds / SCHEMBL541322

SCHEMBL541322

SCHEMBL541322

CC1(C)CCN(c2ncc(C(=O)N3CCS(=O)(=O)CC3)c(C(F)(F)F)n2)c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ OPRL1 P41146 2/20 0.41
▸ PDE4B Q07343 2/20 0.39
▸ P2RY1 P47900 2/20 0.38
▸ RXRA P19793 1/20 0.37
▸ RXRB P28702 1/20 0.37
▸ RXRG P48443 1/20 0.37
▸ ALOX5AP P20292 3/20 0.36
▸ FEN1 P39748 3/20 0.36
▸ HCRTR1 O43613 3/20 0.34
▸ HCRTR2 O43614 3/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ NR1H2 P55055 2/20 0.33
▸ PDK2 Q15119 1/20 0.33
▸ SCN9A Q15858 1/20 0.33

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
SCHEMBL10146161 0.93 P2RY1 (0.37) OPRL1PDE4BP2RY1RXRARXRB
SCHEMBL541323 0.93 P2RY1 (0.38) OPRL1PDE4BP2RY1RXRARXRB
SCHEMBL6523323 0.88 PDE4B (0.44) OPRL1PDE4BP2RY1KDM4EALDH1A1
SCHEMBL12796019 0.85 RXRA (0.43) OPRL1P2RY1RXRARXRBRXRG
SCHEMBL12795984 0.82 ALDH1A1 (0.50) P2RY1RXRARXRBRXRGHCRTR1
SCHEMBL12796342 0.75 AVPR1A (0.46) OPRL1SCN9A
SCHEMBL10145795 0.71 NR1H2 (0.43) OPRL1P2RY1ALOX5APFEN1KDM4E
SCHEMBL541568 0.71 SCD (0.48) ALOX5APFEN1
SCHEMBL12796505 0.70 TSHR (0.48) ALOX5APFEN1KDM4EALDH1A1NR1H2
SCHEMBL12796228 0.69 NR1H2 (0.43) OPRL1ALOX5APFEN1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2415765-A1 PYRIMIDINE COMPOUND Astellas Pharma Inc. (JP) 2012-02-08 — — EP claimed
US-20110053912-A1 PYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-03-03 — — US claimed
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
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 OPRL1 13/4885PDE4B 2476/4885P2RY1 8/4885
US-20130310373-A1 PYRIMIDINE COMPOUND CNR2, CNR1, P2RY2 OPRL1 14/4885PDE4B 2742/4885P2RY1 7/4885

“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.