SCHEMBL5639086

SCHEMBL5639086

CN(C(=O)CN1CCCC1)c1ccc(N2CC(CNC(=O)c3nc4ccccc4[nH]3)CC2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 1/20 0.47
▸ USP2 O75604 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ FAAH O00519 2/20 0.36
▸ GSK3A P49840 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ PDE10A Q9Y233 1/20 0.36
▸ HRH4 Q9H3N8 1/20 0.36
▸ GAA P10253 1/20 0.35
▸ ITGB3 P05106 1/20 0.35
▸ ITGAV P06756 1/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ ADORA1 P30542 1/20 0.35
▸ CHRNA7 P36544 1/20 0.35
▸ SMYD3 Q9H7B4 1/20 0.34
▸ CACNA1G O43497 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ PABPC1 P11940 1/20 0.34

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
SCHEMBL5641069 0.83 ENPP2 (0.37) MAPTFAAHHRH4CHRNA7
SCHEMBL5640377 0.83 CNR1 (0.49) MAPTCHRNA7
SCHEMBL5639925 0.82 MLLT1 (0.38) POLBMAPTALDH1A1
SCHEMBL5642348 0.81 BCHE (0.49) POLBMAPTGAA
SCHEMBL4593896 0.79 USP30 (0.52) USP30USP2POLBMAPTFAAH
SCHEMBL4587510 0.79 CCR3 (0.46) —
SCHEMBL5640949 0.79 F10 (0.48) —
SCHEMBL5640840 0.79 ALDH1A1 (0.38) MAPTCHRNA7ALDH1A1ALOX12
SCHEMBL5642492 0.79 TP53 (0.45) MAPTALDH1A1ALOX12
SCHEMBL5640063 0.79 CCR3 (0.44) POLBMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7199149-B2 Monocyclic and bicyclic lactams as factor Xa inhibitors BRISTOL MYERS SQUIBB COMPANY (US) 2007-04-03 — — US disclosed
US-20050107361-A1 Monocyclic and bicyclic lactams as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMANY 2005-05-19 — — 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-20050107361-A1 Monocyclic and bicyclic lactams as factor Xa inhibitors F2, F12, SPINT2 USP30 2389/4885USP2 1599/4885POLB 4173/4885

“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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