SCHEMBL5639903

SCHEMBL5639903

O=C(NCC1CC(=O)N(c2ccc(C3(CN4CCCCC4)CC3)cc2)C1)c1cc2cc(Cl)ccc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.47
▸ PYGL P06737 14/20 0.42
▸ DRD3 P35462 1/20 0.41
▸ HRH4 Q9H3N8 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.40
▸ EHMT2 Q96KQ7 1/20 0.40
▸ CYP51A1 Q16850 1/20 0.40

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
SCHEMBL5638146 0.99 CNR1 (0.46) CNR1PYGLDRD3HRH4EHMT2
SCHEMBL5640239 0.93 ALOX15 (0.41) CNR1PYGL
SCHEMBL5642478 0.93 PYGL (0.46) CNR1PYGLDRD3EHMT2
SCHEMBL5643086 0.89 KDM4E (0.48) DRD3
SCHEMBL5640430 0.88 F10 (0.36) CNR1
SCHEMBL5638730 0.86 HRH4 (0.47) CNR1PYGLHRH4HRH3
SCHEMBL5643133 0.84 BCHE (0.43) —
SCHEMBL5640479 0.84 CNR1 (0.53) CNR1PYGLDRD3HRH4HRH3
SCHEMBL5642077 0.83 F10 (0.45) —
SCHEMBL5641220 0.82 ENPP2 (0.39) —

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 CNR1 2663/4885PYGL 1786/4885DRD3 4454/4885

“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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