SCHEMBL5645809

SCHEMBL5645809

O=C(O)N1CCC[C@H]1CN1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 10/20 0.44
▸ DPP4 P27487 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ UTS2R Q9UKP6 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ KCNK3 O14649 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ GLA P06280 1/20 0.40
▸ OPRK1 P41145 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ OPRD1 P41143 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL5645813 1.00 HRH3 (0.44) HRH3DPP4KCNH2UTS2RHSD17B10
SCHEMBL5403401 0.86 HRH3 (0.56) HRH3KCNH2
SCHEMBL3599949 0.86 HRH3 (0.56) HRH3KCNH2
SCHEMBL3599954 0.86 HRH3 (0.56) HRH3KCNH2
SCHEMBL14186211 0.85 HRH3 (0.43) HRH3DPP4KCNH2UTS2RKCNK3
SCHEMBL18426501 0.85 HRH3 (0.46) HRH3KCNH2POLBL3MBTL1OPRD1
SCHEMBL18426502 0.85 HRH3 (0.46) HRH3KCNH2POLBL3MBTL1OPRD1
SCHEMBL18426050 0.81 HRH3 (0.46) HRH3KCNH2POLBL3MBTL1OPRK1
SCHEMBL18426053 0.81 HRH3 (0.46) HRH3KCNH2POLBL3MBTL1OPRK1
SCHEMBL12506848 0.81 UTS2R (0.46) HRH3UTS2ROPRK1NPC1CYP1A2

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-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 HRH3 664/4885DPP4 2028/4885KCNH2 3025/4885

“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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