SCHEMBL5644384

SCHEMBL5644384

NC(=O)C1CCCCC1C(=O)Nc1ccc(C2(CN3CCCC3)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 1/20 0.46
▸ F10 P00742 4/20 0.44
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ F2 P00734 1/20 0.42
▸ HTT P42858 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ FPR2 P25090 5/20 0.41
▸ P2RY1 P47900 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ FPR3 P25089 1/20 0.39
▸ FPR1 P21462 1/20 0.39
▸ FNTA P49354 1/20 0.39
▸ FNTB P49356 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
SCHEMBL5644386 0.89 F10 (0.44) F10MEN1KMT2AF2HTT
SCHEMBL5569965 0.78 F10 (0.45) F10MEN1KMT2AF2SMN1; SMN2
SCHEMBL5436046 0.78 F10 (0.64) F10F2FPR2FPR3
SCHEMBL5641812 0.76 F10 (0.64) F10F2FPR2
SCHEMBL27483857 0.72 RAB9A (0.75) GRM4HTTRAB9AKDM4ESMN1; SMN2
SCHEMBL5569390 0.72 P2RY1 (0.42) F10MEN1KMT2AF2KDM4E
SCHEMBL5570412 0.71 P2RY1 (0.46) MEN1KMT2ARAB9AKDM4ESMN1; SMN2
SCHEMBL5567510 0.71 AAK1 (0.50) P2RY1MAPT
SCHEMBL5567507 0.70 P2RY1 (0.41) F10F2HTTKDM4ESMN1; SMN2
SCHEMBL5569392 0.70 CHEK1 (0.49) P2RY1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040254158-A1 Anticoagulants; atherosclerosis; strokes; thrombosis; cardiovascular disorders BRISTOL-MYERS SQUIBB COMPANY 2004-12-16 — — US 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 GRM4 3049/4885F10 14/4885MEN1 2498/4885

“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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