SCHEMBL5642215

SCHEMBL5642215

CN(C)Cc1nccn1-c1ccc(N2CC(CNC(=O)c3cc4ccccc4s3)CC2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 9/20 0.42
▸ OPRM1 P35372 3/20 0.39
▸ ACKR3 P25106 1/20 0.38
▸ NAMPT P43490 1/20 0.38
▸ RAB9A P51151 1/20 0.37
▸ SLC6A2 P23975 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ DRD2 P14416 3/20 0.37
▸ DRD3 P35462 3/20 0.37
▸ DRD4 P21917 2/20 0.37
▸ MCHR1 Q99705 1/20 0.37
▸ HTR1A P08908 1/20 0.37
▸ DRD1 P21728 1/20 0.37
▸ ADRA1D P25100 1/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ HTR2C P28335 1/20 0.37
▸ ADRA1A P35348 1/20 0.37
▸ ADRA1B P35368 1/20 0.37
▸ HTR2B P41595 1/20 0.37

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
SCHEMBL4594170 0.91 F10 (0.41) F10OPRM1DRD2DRD3DRD4
SCHEMBL5642220 0.91 F10 (0.41) F10DRD2DRD3DRD4
SCHEMBL5642593 0.90 F10 (0.47) F10
SCHEMBL5641439 0.90 F10 (0.47) F10
SCHEMBL5639572 0.87 F10 (0.44) F10
SCHEMBL5638362 0.86 F10 (0.41) F10
SCHEMBL5641661 0.86 CNR1 (0.47) F10
SCHEMBL5641253 0.86 F10 (0.44) F10
SCHEMBL5639620 0.85 F10 (0.43) F10
SCHEMBL5639920 0.85 F10 (0.49) F10

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 F10 18/4885OPRM1 3849/4885ACKR3 3307/4885

“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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