SCHEMBL10145348

SCHEMBL10145348

CN[C@@H]1C[C@H](C(=O)O)c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.50
SLC6A3 Q01959 6/20 0.50
SLC6A4 P31645 5/20 0.43
TP53 P04637 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
NPC1 O15118 1/20 0.42
CYP2D6 P10635 1/20 0.42
NFKB1 P19838 1/20 0.42
THPO P40225 1/20 0.42
MTOR P42345 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL15397226 1.00 SLC6A2 (0.50) SLC6A2SLC6A3SLC6A4TP53CYP1A2
SCHEMBL432906 0.80 ALDH1A1 (0.48) TSHR
SCHEMBL13256024 0.78 MAOB (0.49)
SCHEMBL15335817 0.76 NOTUM (0.43) TSHR
SCHEMBL5269144 0.76 KDM1A (0.46) NPC1NFKB1RAB9A
SCHEMBL2399818 0.75 SLC6A2 (0.53) SLC6A2SLC6A3SLC6A4TP53CYP1A2
SCHEMBL8370418 0.72 ALDH1A1 (0.48) CYP2C19TSHRNPC1RAB9A
SCHEMBL5970111 0.72 SLC6A2 (0.46) SLC6A2SLC6A3SLC6A4CYP1A2CYP2C19
SCHEMBL2470428 0.72 SLC6A2 (0.46) SLC6A2SLC6A3SLC6A4CYP1A2CYP2C19
SCHEMBL27481427 0.72 ALDH1A1 (0.42) CYP3A4CYP2C19TSHR

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-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 (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-20110053912-A1 PYRIMIDINE COMPOUND CNR2, CNR1, P2RY2 SLC6A2 2902/4885SLC6A3 4180/4885SLC6A4 2941/4885

“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.