SCHEMBL12848641

SCHEMBL12848641

CNC1(CNC(C)=O)CCCC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
HTR3A P46098 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 0.42
TSHR P16473 2/20 0.39
CASP1 P29466 1/20 0.39
NPSR1 Q6W5P4 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34
P2RX7 Q99572 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33
HIF1A Q16665 1/20 0.33
MTNR1A P48039 4/20 0.32
MTNR1B P49286 4/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL24920427 0.91 NPSR1 (0.37) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL10146026 0.79 HTR3E (0.36) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL13165661 0.76 TSHR (0.41) TSHRCASP1NPSR1OPRM1OPRL1
SCHEMBL24618517 0.75 ALDH1A1 (0.37) TSHRCASP1NPSR1OPRM1OPRL1
SCHEMBL13165680 0.74 TSHR (0.41) TSHRCASP1NPSR1OPRM1OPRL1
SCHEMBL19127312 0.74 BRD4 (0.41) TSHRCASP1NPSR1P2RX7
SCHEMBL26514351 0.74 HTR3E (0.32) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7628433 0.72 OPRM1 (0.49) TSHRCASP1NPSR1OPRM1OPRL1
SCHEMBL13013428 0.72 P2RX7 (0.41) TSHRCASP1P2RX7
SCHEMBL12070763 0.72 TSHR (0.40) TSHRCASP1NPSR1OPRM1OPRL1

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 3 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-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 HTR3E 265/4885HTR3B 168/4885HTR3A 184/4885

“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.