SCHEMBL5646399

SCHEMBL5646399

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 1/20 0.45
▸ UTS2R Q9UKP6 1/20 0.41
▸ HRH3 Q9Y5N1 4/20 0.39
▸ OPRK1 P41145 4/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ OPRD1 P41143 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ BLM P54132 1/20 0.37
▸ PMP22 Q01453 1/20 0.37
▸ DRD4 P21917 1/20 0.37
▸ SLC6A3 Q01959 1/20 0.37
▸ TMEM97 Q5BJF2 1/20 0.37
▸ SIGMAR1 Q99720 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
SCHEMBL5644882 0.90 HRH3 (0.48) HRH3OPRK1NPC1CYP1A2CYP3A4
SCHEMBL5645465 0.83 SCN9A (0.43) SCN9AUTS2RHRH3OPRK1NPC1
SCHEMBL24323775 0.80 F10 (0.47) NPC1
SCHEMBL24322691 0.75 F10 (0.47) SCN9ACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL14641302 0.74 CASP3 (0.53) SCN9AHRH3
SCHEMBL14603134 0.74 CASP3 (0.53) SCN9AHRH3
SCHEMBL14603131 0.73 HRH3 (0.48) HRH3
SCHEMBL5645813 0.72 HRH3 (0.44) UTS2RHRH3OPRK1NPC1CYP1A2
SCHEMBL5645809 0.72 HRH3 (0.44) UTS2RHRH3OPRK1NPC1CYP1A2
SCHEMBL14143578 0.72 GAA (0.49) NPC1CYP3A4TDP1

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 7 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
EP-1358178-A2 SULFONAMIDE LACTAM INHIBITORS OF FACTOR XA Bristol-Myers Squibb Company (US) 2003-11-05 — — EP 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
WO-2002060894-A2 SULFONAMIDE LACTAM INHIBITORS OF FACTOR XA BRISTOL-MYERS SQUIBB COMPANY (US) 2002-08-08 — — WO 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 582/4885UTS2R 1041/4885HRH3 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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