SCHEMBL5639974

SCHEMBL5639974

CN(C)CC1(c2ccc(N3CC(CNC(=O)c4cc5ccccc5[nH]4)CC3=O)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 1/20 0.45
▸ DRD2 P14416 6/20 0.44
▸ DRD3 P35462 6/20 0.44
▸ SCN4A P35499 1/20 0.43
▸ SCN9A Q15858 1/20 0.43
▸ SCN3A Q9NY46 1/20 0.43
▸ CCKBR P32239 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ KCNH2 Q12809 2/20 0.40
▸ GHSR Q92847 2/20 0.40
▸ OPRM1 P35372 1/20 0.40
▸ PLD1 Q13393 1/20 0.40
▸ HDAC3 O15379 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC7 Q8WUI4 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC10 Q969S8 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
SCHEMBL5639220 0.90 ALOX15 (0.44) —
SCHEMBL5638730 0.90 HRH4 (0.47) —
SCHEMBL5643086 0.86 KDM4E (0.48) DRD2DRD3SCN4ASCN9ASCN3A
SCHEMBL5642913 0.85 PYGL (0.34) DRD2DRD3SCN4ASCN9ASCN3A
SCHEMBL5639833 0.83 OPRM1 (0.42) OPRM1PLD1
SCHEMBL5641090 0.81 CCR3 (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4593714 0.80 SCN4A (0.47) DRD2DRD3SCN4ASCN9ASCN3A
SCHEMBL5641611 0.79 DRD2 (0.43) HTR2CDRD2DRD3SCN4ASCN9A
SCHEMBL5639606 0.79 F10 (0.45) KCNH2OPRM1
SCHEMBL5641712 0.78 DRD2 (0.44) HTR2CDRD2DRD3SCN4ASCN9A

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 HTR2C 3691/4885DRD2 4648/4885DRD3 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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