SCHEMBL5639633

SCHEMBL5639633

CN(C)C(=O)c1ccc(N2C(=O)N3CC[CH][C@@H]3C2C(N)=O)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 4/20 0.34
GAA P10253 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
POLB P06746 1/20 0.32
CSNK1A1 P48729 1/20 0.32
CSNK1D P48730 1/20 0.32
CDK8 P49336 1/20 0.32
CSNK1E P49674 1/20 0.32
GSK3A P49840 1/20 0.32
HASPIN Q8TF76 1/20 0.32
RIOK2 Q9BVS4 1/20 0.32
CDK19 Q9BWU1 1/20 0.32
OPRD1 P41143 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRL1 P41146 1/20 0.31
KAT8 Q9H7Z6 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 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
SCHEMBL5641830 0.89 F10 (0.34) POLB
SCHEMBL5644100 0.86 ALDH1A1 (0.36) GAASMN1; SMN2ALDH1A1HPGDMAPT
SCHEMBL5638380 0.84 POLB (0.31) POLB
SCHEMBL5640742 0.82 F10 (0.35) POLB
SCHEMBL5641336 0.82 OPRM1 (0.38) OPRM1OPRL1
SCHEMBL5642089 0.81 HPGD (0.43) GAAALDH1A1HPGDPOLB
SCHEMBL5641013 0.80 OPRM1 (0.36) OPRM1OPRL1
SCHEMBL5643367 0.80 OPRM1 (0.36) OPRM1OPRL1
SCHEMBL5643420 0.79 F10 (0.38)
SCHEMBL5642622 0.79 F10 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7199149-B2 Monocyclic and bicyclic lactams as factor Xa inhibitors BRISTOL MYERS SQUIBB COMPANY (US) 2007-04-03 US disclosed
US-20050107361-A1 Monocyclic and bicyclic lactams as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMANY 2005-05-19 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-20050107361-A1 Monocyclic and bicyclic lactams as factor Xa inhibitors F2, F12, SPINT2 P2RX3 4695/4885GAA 802/4885SMN1; SMN2 3076/4885

“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.