SCHEMBL7796029

SCHEMBL7796029

COC(=O)COc1ccc(C(=O)CN(C)Cc2cccc(N)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 4/20 0.39
SYK P43405 3/20 0.38
CHRNB2 P17787 2/20 0.38
CHRNB4 P30926 2/20 0.38
CHRNA3 P32297 2/20 0.38
CHRNA4 P43681 2/20 0.38
LMNA P02545 1/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
PTGS2 P35354 1/20 0.36
BLM P54132 1/20 0.36

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
SCHEMBL7796040 0.89 ITGB3 (0.40) NPC1RAB9AMAPTSMN1; SMN2POLB
SCHEMBL7796035 0.80 MAPT (0.40) NPC1RAB9AMAPTSMN1; SMN2POLB
SCHEMBL7788854 0.76 ITGB3 (0.52) SMN1; SMN2POLB
SCHEMBL7795621 0.74 LMNA (0.39) NPC1RAB9AMAPTSMN1; SMN2POLB
SCHEMBL7588938 0.73 LMNA (0.38) NPC1RAB9AMAPTSMN1; SMN2POLB
SCHEMBL8182180 0.72 CYP2C19 (0.47) NPC1RAB9AMAPTSMN1; SMN2POLB
SCHEMBL7592919 0.71 LMNA (0.37) NPC1RAB9AMAPTSMN1; SMN2POLB
SCHEMBL2012060 0.69 MAPT (0.53) NPC1RAB9AMAPTSMN1; SMN2POLB
SCHEMBL7796055 0.69 ITGB1 (0.41) NPC1RAB9AMAPTSMN1; SMN2LMNA
SCHEMBL7795627 0.68 SMN1; SMN2 (0.39) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010034445-A1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION 2001-10-25 US disclosed
EP-0895475-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2000-08-23 EP disclosed
EP-0895475-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-02-10 EP disclosed
WO-1997024122-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-10 WO 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-20010034445-A1 Vitronectin receptor antagonists ADGRF1, GPR174, CALCRL NPC1 792/4885RAB9A 2305/4885MAPT 4080/4885

“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.