SCHEMBL5643279

SCHEMBL5643279

CC(C)(CN1CCCC1)c1ccc(N2CC(CNC(=O)c3cc4ccccc4o3)CC2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 3/20 0.49
▸ LMNA P02545 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ POLB P06746 1/20 0.45
▸ SLC6A4 P31645 2/20 0.44
▸ RAB9A P51151 2/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ SLC6A2 P23975 1/20 0.41
▸ DRD3 P35462 3/20 0.40
▸ HTR1A P08908 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ OPRK1 P41145 1/20 0.40
▸ DRD2 P14416 2/20 0.40

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
SCHEMBL5639756 0.86 BCHE (0.50) MAPTPOLBSLC6A4RAB9ANPC1
SCHEMBL5641386 0.84 METTL3 (0.57) TP53LMNAMAPTPOLBSLC6A4
SCHEMBL5641995 0.83 KDM4E (0.48) SLC6A4KDM4EALDH1A1SLC6A2DRD3
SCHEMBL5640065 0.83 ACKR3 (0.44) SLC6A4RAB9ASLC6A2DRD3HTR1A
SCHEMBL5642154 0.80 F10 (0.45) ALDH1A1
SCHEMBL4587626 0.80 F10 (0.44) ALDH1A1
SCHEMBL5643104 0.79 BCHE (0.43) TP53LMNAMAPTSLC6A4KMT2A
SCHEMBL5640468 0.79 F10 (0.48) TP53LMNAMAPTPOLBKMT2A
SCHEMBL5641226 0.77 F10 (0.51) —
SCHEMBL4588119 0.77 F10 (0.40) LMNAPOLBKMT2AALDH1A1SMN1; SMN2

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 TP53 4214/4885LMNA 774/4885MAPT 4614/4885

“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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