SCHEMBL5644098

SCHEMBL5644098

CN(C)c1ccc(N2C[C@@]3(C(N)=O)[CH]CCN3C2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.44
PARP1 P09874 1/20 0.40
MAPT P10636 5/20 0.35
GFER P55789 1/20 0.35
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
TP53 P04637 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ESR2 Q92731 1/20 0.32
ALDH1A1 P00352 4/20 0.32
KDM4E B2RXH2 3/20 0.32
MAPK1 P28482 1/20 0.32
RECQL P46063 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HDAC1 Q13547 1/20 0.31
KAT2B Q92831 1/20 0.31
OPRM1 P35372 3/20 0.31
OPRL1 P41146 3/20 0.31
HPGD P15428 1/20 0.30
CACNA1G O43497 1/20 0.30

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
SCHEMBL5639628 0.86 OPRM1 (0.39) GAAMAPTSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL5641826 0.85 ITGB3 (0.36) L3MBTL1HDAC1OPRM1OPRL1F10
SCHEMBL5641331 0.85 OPRM1 (0.44) OPRM1OPRL1F10
SCHEMBL5640493 0.83 LMNA (0.36) OPRM1OPRL1LMNAHTT
SCHEMBL5639923 0.83
SCHEMBL5641008 0.83 OPRM1 (0.43) OPRM1OPRL1F10
SCHEMBL5643361 0.83 OPRM1 (0.43) OPRM1OPRL1F10
SCHEMBL5641575 0.82 LMNA (0.35) SMN1; SMN2OPRM1OPRL1HPGDLMNA
SCHEMBL5640133 0.81 F10 (0.43) OPRM1OPRL1F10
SCHEMBL5641390 0.81

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 GAA 802/4885PARP1 1514/4885MAPT 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.