SCHEMBL3604860

SCHEMBL3604860

CCN(CC)C(=O)COc1ccc(C(=O)CNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.49
NPC1 O15118 1/20 0.49
MAPT P10636 4/20 0.43
GAA P10253 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TRPM8 Q7Z2W7 4/20 0.42
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL5782184 0.88 RAB9A (0.39) RAB9ANPC1MAPTGAASMN1; SMN2
SCHEMBL2009205 0.85 SMN1; SMN2 (0.51) RAB9ANPC1MAPTSMN1; SMN2CA12
SCHEMBL2013987 0.79 MAPT (0.49) RAB9ANPC1MAPTSMN1; SMN2CA12
Methenamine SCHEMBL5801339 0.79 EPHX2 (0.48) RAB9ANPC1MAPTSMN1; SMN2CA12
SCHEMBL16215508 0.78 ALDH1A1 (0.55) RAB9ANPC1MAPTGAACA12
SCHEMBL2014794 0.77 L3MBTL1 (0.40) MAPTCA12CA1CA2CA9
SCHEMBL8377749 0.77 CA12 (0.44) RAB9ANPC1MAPTSMN1; SMN2CA12
SCHEMBL882755 0.76 HDAC1 (0.44) MAPTSMN1; SMN2CA12CA1CA2
SCHEMBL1295592 0.76 PLA2G4B (0.50) RAB9ANPC1MAPTSMN1; SMN2CA12
SCHEMBL19331720 0.76 CA1 (0.49) RAB9ANPC1MAPTSMN1; SMN2CA12

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-7759387-B2 Fibrinogen receptor antagonists and their use PIRAMAL LIFE SCIENCES LIMITED (IN) 2010-07-20 US disclosed
US-20070021489-A1 Fibrinogen receptor antagonists and their use NICHOLAS PIRAMAL INDIA LIMITED (IN) 2007-01-25 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-20070021489-A1 Fibrinogen receptor antagonists and their use FGB, F13B, F2 RAB9A 2816/4885NPC1 4226/4885MAPT 4727/4885

“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.