SCHEMBL5643104

SCHEMBL5643104

CC(C)(CN1CCCC1)c1ccc(N2CC(CNC(=O)c3ccc4cc(Cl)ccc4c3)CC2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.43
KCNH2 Q12809 4/20 0.41
CACNA1I Q9P0X4 3/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
MAOB P27338 1/20 0.40
F10 P00742 4/20 0.39
CCR3 P51677 1/20 0.38
MAPT P10636 1/20 0.38
HTR1A P08908 1/20 0.38
ENPP2 Q13822 3/20 0.38
KMT2A Q03164 1/20 0.38
SLC6A4 P31645 1/20 0.37
CACNA1H O95180 1/20 0.37
CYP2D6 P10635 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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 0.92 BCHE (0.50) BCHEMAOBCCR3MAPTHTR1A
SCHEMBL5639678 0.87 LMNA (0.41) BCHEKCNH2CACNA1ILMNATP53
SCHEMBL5637894 0.85 LMNA (0.39) BCHEKCNH2CACNA1ILMNATP53
SCHEMBL5640468 0.84 F10 (0.48) LMNATP53F10MAPTKMT2A
SCHEMBL4594192 0.84 MAPT (0.53) BCHELMNAF10MAPTALDH1A1
SCHEMBL5641350 0.84 F10 (0.52) KCNH2CACNA1ILMNATP53F10
SCHEMBL5641674 0.84 BCHE (0.42) BCHEKCNH2CACNA1ILMNATP53
SCHEMBL5640959 0.83 F10 (0.51) F10
SCHEMBL5642154 0.83 F10 (0.45) KCNH2CACNA1IF10ALDH1A1
SCHEMBL4587626 0.82 F10 (0.44) KCNH2CACNA1IF10ALDH1A1

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 BCHE 170/4885KCNH2 2181/4885CACNA1I 666/4885

“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.