SCHEMBL5645465

SCHEMBL5645465

CN[C@@H]1CCCN(CC(=O)N2CCC[C@H]2CN2CCOCC2)C1=O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 1/20 0.43
▸ F10 P00742 3/20 0.40
▸ HRH3 Q9Y5N1 7/20 0.40
▸ UTS2R Q9UKP6 1/20 0.39
▸ KCNK3 O14649 1/20 0.36
▸ OPRK1 P41145 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ OPRD1 P41143 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL14603131 0.91 HRH3 (0.48) HRH3
SCHEMBL5646399 0.83 SCN9A (0.45) SCN9AHRH3UTS2ROPRK1NPC1
SCHEMBL14641302 0.79 CASP3 (0.53) SCN9AHRH3
SCHEMBL14603134 0.79 CASP3 (0.53) SCN9AHRH3
SCHEMBL14603295 0.76 F10 (0.69) F10
SCHEMBL14604379 0.75 F10 (0.70) F10
SCHEMBL14604795 0.75 F10 (0.70) F10
SCHEMBL14604815 0.75 F10 (0.74) F10
SCHEMBL14604712 0.73 F10 (0.60) F10
SCHEMBL14603649 0.73 F10 (0.71) F10UTS2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7166586-B2 Sulfonamide lactam inhibitors of FXa and method BRISTOL MYERS SQUIBB CO. (US) 2007-01-23 — — US disclosed
US-7166586-B2 Sulfonamide lactam inhibitors of FXa and method BRISTOL MYERS SQUIBB CO. (US) 2007-01-23 — — US disclosed
US-7166586-B2 Sulfonamide lactam inhibitors of FXa and method BRISTOL MYERS SQUIBB CO. (US) 2007-01-23 — — US disclosed
US-20040186134-A1 Sulfonamide lactam inhibitors of FXa and method O'CONNOR STEPHEN P (US) 2004-09-23 — — US disclosed
US-6555542-B1 Factor Xa (FXa); useful as anticoagulants in the treatment of cardiovascular diseases associated with thrombosis BRISTOL-MYERS SQUIBB COMPANY 2003-04-29 — — 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-20040186134-A1 Sulfonamide lactam inhibitors of FXa and method STS, SULT1E1, F8 SCN9A 582/4885F10 15/4885HRH3 664/4885

“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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