SCHEMBL10145336

SCHEMBL10145336

CNC1(C(=O)O)CC2CCC1C2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.35
CHRNB4 P30926 4/20 0.35
CHRNA3 P32297 4/20 0.35
CHRNA7 P36544 4/20 0.35
CHRNA4 P43681 4/20 0.35
CHRNA1 P02708 3/20 0.35
CHRNG P07510 3/20 0.35
CHRNB1 P11230 3/20 0.35
CHRND Q07001 3/20 0.35
LMNA P02545 1/20 0.35
CYP3A4 P08684 1/20 0.35
PKM P14618 1/20 0.35
NFKB1 P19838 1/20 0.35
CYP2C19 P33261 1/20 0.35
THPO P40225 1/20 0.35
CHRNE Q04844 1/20 0.35
CHRNA2 Q15822 1/20 0.35
HSD11B1 P28845 1/20 0.34
ARG1 P05089 1/20 0.31
ARG2 P78540 1/20 0.31

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
SCHEMBL13252222 0.85 CHRNB2 (0.31) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL9447855 0.75 MEN1 (0.43) HSD11B1ALDH1A1HTTEPHX2
SCHEMBL9396258 0.72 DHODH (0.32) LMNACYP3A4PKMALDH1A1
SCHEMBL76705 0.71 HSD11B1 (0.36) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL2761577 0.70 HSD11B1 (0.38) PKMHSD11B1
SCHEMBL11703078 0.69 HSD11B1 (0.36) LMNANFKB1CYP2C19THPOHSD11B1
SCHEMBL12828040 0.69 HSD11B1 (0.31) HSD11B1ALDH1A1
SCHEMBL12632027 0.69 ALDH1A1 (0.37) ALDH1A1HTT
SCHEMBL8733039 0.68 HSD11B1 (0.37) HSD11B1
SCHEMBL28770909 0.68 HSD11B1 (0.37) HSD11B1

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 7 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
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 CHRNB2 421/4885CHRNB4 840/4885CHRNA3 315/4885
US-20130310373-A1 PYRIMIDINE COMPOUND CNR2, CNR1, P2RY2 CHRNB2 414/4885CHRNB4 855/4885CHRNA3 293/4885

“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.