SCHEMBL5639804

SCHEMBL5639804

O=C(NCC1CC(=O)N(c2ccc(C3(CN4CCCC4)CC3)cc2)C1)c1cccc(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
F10 P00742 5/20 0.46
KCNH2 Q12809 1/20 0.46
CACNA1I Q9P0X4 1/20 0.46
KCNA3 P22001 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
F2 P00734 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
CACNA1H O95180 1/20 0.38

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
SCHEMBL5642077 0.90 F10 (0.45) LMNAF10SMN1; SMN2KMT2AF2
SCHEMBL5643133 0.89 BCHE (0.43) F10KMT2AF2
SCHEMBL5644157 0.86 BCHE (0.51) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL5639606 0.85 F10 (0.45) LMNAF10KCNH2CACNA1IKCNA3
SCHEMBL5640496 0.85 F10 (0.42) LMNAF10KMT2AF2ALDH1A1
SCHEMBL5641205 0.84 BCHE (0.40) F10F2
SCHEMBL5640168 0.83 F10 (0.54) F10KCNH2CACNA1IF2
SCHEMBL4594264 0.83 LMNA (0.67) LMNAF10KCNH2CACNA1ISMN1; SMN2
SCHEMBL5644167 0.83 F10 (0.42) F10F2
SCHEMBL5641220 0.82 ENPP2 (0.39) F10F2

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 LMNA 774/4885F10 18/4885KCNH2 2181/4885

“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.