SCHEMBL4872943

SCHEMBL4872943

Cc1nc(N2CCC(C(=O)O)CC2)c(C#N)cc1C(=O)OC1CC1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 12/20 0.57
KMT2A Q03164 3/20 0.57
KDM4E B2RXH2 3/20 0.57
ALDH1A1 P00352 3/20 0.56
CYP2C9 P11712 5/20 0.56
CYP3A4 P08684 3/20 0.56
CHRM2 P08172 1/20 0.56
DRD3 P35462 1/20 0.56
MEN1 O00255 2/20 0.54
MAPK1 P28482 1/20 0.54
RXFP1 Q9HBX9 1/20 0.51

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
SCHEMBL4878582 0.90 KDM4E (0.58) P2RY12KMT2AKDM4EALDH1A1CYP2C9
SCHEMBL4115190 0.89 P2RY12 (0.70) P2RY12KMT2AKDM4EALDH1A1CYP2C9
SCHEMBL4881773 0.89 KDM4E (0.72) P2RY12KMT2AKDM4EALDH1A1CYP2C9
SCHEMBL4099899 0.87 KMT2A (0.57) P2RY12KMT2AKDM4EALDH1A1CYP2C9
SCHEMBL3229339 0.84 ALDH1A1 (0.58) P2RY12KMT2AKDM4EALDH1A1CYP2C9
SCHEMBL5053566 0.84 P2RY12 (0.82) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL4103245 0.84 P2RY12 (0.59) P2RY12KMT2AKDM4EALDH1A1CYP2C9
SCHEMBL30999839 0.83 P2RY12 (0.65) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL29258844 0.83 P2RY12 (0.65) P2RY12CYP2C9CYP3A4CHRM2DRD3
SCHEMBL4737008 0.83 P2RY12 (0.58) P2RY12KMT2AKDM4EALDH1A1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080312208-A1 Pyridine Analogues ASTRAZENECA AB (SE) 2008-12-18 US 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-20080312208-A1 Pyridine Analogues P2RY12, P2RY11, P2RY1 P2RY12 1/4885KMT2A 3584/4885KDM4E 1759/4885

“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.