SCHEMBL5644386

SCHEMBL5644386

NC1CCCCC1C(=O)Nc1ccc(C2(CN3CCCC3)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 4/20 0.44
▸ F2 P00734 1/20 0.42
▸ FPR2 P25090 6/20 0.41
▸ P2RY1 P47900 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ FPR1 P21462 1/20 0.39
▸ HTT P42858 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ FPR3 P25089 2/20 0.37
▸ FNTA P49354 1/20 0.36
▸ FNTB P49356 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
SCHEMBL5644384 0.89 GRM4 (0.46) F10F2FPR2P2RY1MEN1
SCHEMBL5569965 0.78 F10 (0.45) F10F2FPR2P2RY1MEN1
SCHEMBL5436050 0.75 F10 (0.67) F10F2FPR2KMT2AKDM4E
SCHEMBL5641816 0.73 F10 (0.67) F10F2FPR2FPR1LMNA
SCHEMBL11616220 0.72 MAPT (0.63) MEN1KMT2AHTTRAB9AKDM4E
SCHEMBL11616223 0.72 MAPT (0.63) MEN1KMT2AHTTRAB9AKDM4E
SCHEMBL5570412 0.71 P2RY1 (0.46) P2RY1MEN1KMT2ARAB9AKDM4E
SCHEMBL5567510 0.71 AAK1 (0.50) P2RY1MAPT
SCHEMBL5436046 0.71 F10 (0.64) F10F2FPR2FPR3
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 3 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
US-20040254158-A1 Anticoagulants; atherosclerosis; strokes; thrombosis; cardiovascular disorders BRISTOL-MYERS SQUIBB COMPANY 2004-12-16 — — 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-20040254158-A1 Anticoagulants; atherosclerosis; strokes; thrombosis; cardiovascular disorders SERPINC1, PCSK9, PLAT F10 14/4885F2 10/4885FPR2 910/4885

“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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