SCHEMBL5641611

SCHEMBL5641611

CN(C)Cc1nccn1-c1ccc(N2CC(CNC(=O)c3cc4ccccc4[nH]3)CC2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 8/20 0.43
▸ DRD3 P35462 8/20 0.43
▸ SCN4A P35499 1/20 0.43
▸ SCN9A Q15858 1/20 0.43
▸ SCN3A Q9NY46 1/20 0.43
▸ CCKBR P32239 2/20 0.42
▸ HTR2C P28335 1/20 0.42
▸ F10 P00742 2/20 0.40
▸ HRH4 Q9H3N8 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ KCNH2 Q12809 2/20 0.38
▸ GHSR Q92847 2/20 0.38
▸ OPRM1 P35372 1/20 0.38

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
SCHEMBL5643675 0.91 F10 (0.39) DRD2DRD3F10KCNH2GHSR
SCHEMBL5641383 0.90 F10 (0.44) F10
SCHEMBL5640892 0.90 HRH4 (0.45) DRD3F10HRH4
SCHEMBL5639620 0.85 F10 (0.43) F10
SCHEMBL5643102 0.84 F10 (0.46) F10KDM4E
SCHEMBL5642215 0.83 F10 (0.42) DRD2DRD3HTR2CF10OPRM1
SCHEMBL4593714 0.83 SCN4A (0.47) DRD2DRD3SCN4ASCN9ASCN3A
SCHEMBL4594487 0.81 F10 (0.45) F10KCNH2
SCHEMBL5643197 0.81 F10 (0.42) F10
SCHEMBL5637657 0.81 F10 (0.42) F10HRH4

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 DRD2 4648/4885DRD3 4454/4885SCN4A 1295/4885

“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.

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