SCHEMBL5641812

SCHEMBL5641812

NC(=O)C1CCCC1NC(=O)c1ccc(C2(CN3CCCC3)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 4/20 0.64
▸ F2 P00734 1/20 0.64
▸ CCR1 P32246 4/20 0.39
▸ FPR2 P25090 3/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ PSEN1 P49768 3/20 0.36
▸ PSEN2 P49810 3/20 0.36
▸ APH1B Q8WW43 3/20 0.36
▸ NCSTN Q92542 3/20 0.36
▸ APH1A Q96BI3 3/20 0.36
▸ PSENEN Q9NZ42 3/20 0.36
▸ CNR2 P34972 4/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ TAS1R3 Q7RTX0 1/20 0.35
▸ TAS1R1 Q7RTX1 1/20 0.35

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
SCHEMBL5436046 0.98 F10 (0.64) F10F2CCR1FPR2ALDH1A1
SCHEMBL5641816 0.87 F10 (0.67) F10F2FPR2ALDH1A1
SCHEMBL5436050 0.84 F10 (0.67) F10F2FPR2ALDH1A1
SCHEMBL5646620 0.83 F10 (0.54) F10F2FPR2ALDH1A1
SCHEMBL5646488 0.83 F10 (0.53) F10F2CCR1FPR2ALDH1A1
SCHEMBL5642893 0.81 F10 (0.43) F10F2CCR1PSEN1PSEN2
SCHEMBL5642995 0.80 F10 (0.42) F10F2CCR1PSEN1PSEN2
SCHEMBL4787580 0.79 F10 (0.44) F10F2CCR1ALDH1A1CNR2
SCHEMBL8354712 0.79 F10 (1.00) F10F2
SCHEMBL5644998 0.78 F10 (0.56) F10F2FPR2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1505966-A4 1,1-DISUBSTITUTED CYCLOALKYL DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2006-08-30 — — EP claimed
EP-1505966-A1 1,1-DISUBSTITUTED CYCLOALKYL DERIVATIVES AS FACTOR XA INHIBITORS Bristol-Myers Squibb Company (US) 2005-02-16 — — EP claimed
US-20040254158-A1 Anticoagulants; atherosclerosis; strokes; thrombosis; cardiovascular disorders BRISTOL-MYERS SQUIBB COMPANY 2004-12-16 — — US claimed
WO-2003099276-A1 1,1-DISUBSTITUTED CYCLOALKYL DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-12-04 — — WO claimed
US-7312214-B2 1, 1-disubstituted cycloalkyl derivatives as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-25 — — US disclosed
EP-1505966-A4 1,1-DISUBSTITUTED CYCLOALKYL DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2006-08-30 — — EP disclosed
EP-1505966-A1 1,1-DISUBSTITUTED CYCLOALKYL DERIVATIVES AS FACTOR XA INHIBITORS Bristol-Myers Squibb Company (US) 2005-02-16 — — EP disclosed
US-20040254158-A1 Anticoagulants; atherosclerosis; strokes; thrombosis; cardiovascular disorders BRISTOL-MYERS SQUIBB COMPANY 2004-12-16 — — US disclosed
WO-2003099276-A1 1,1-DISUBSTITUTED CYCLOALKYL DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-12-04 — — 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-20040254158-A1 Anticoagulants; atherosclerosis; strokes; thrombosis; cardiovascular disorders SERPINC1, PCSK9, PLAT F10 14/4885F2 10/4885CCR1 730/4885

“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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