SCHEMBL6620443

SCHEMBL6620443

CC(C)(C)OC(=O)C(CCC(=O)N1CCC2(CCN(Cc3ccccc3)CC2)CC1)NS(=O)(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 8/20 0.50
ITGB3 P05106 4/20 0.48
ITGA2B P08514 4/20 0.48
ALDH1A1 P00352 4/20 0.46
CYP3A4 P08684 4/20 0.46
USP2 O75604 2/20 0.46
MAPK1 P28482 1/20 0.46
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CHRM2 P08172 4/20 0.44
CHRM3 P20309 2/20 0.44
CYP2C19 P33261 3/20 0.43
TSHR P16473 2/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL6620445 1.00 CYP2D6 (0.50) CYP2D6ITGB3ITGA2BALDH1A1CYP3A4
SCHEMBL6620319 0.89 ITGB3 (0.51) ITGB3ITGA2BTSHR
SCHEMBL6620316 0.89 ITGB3 (0.51) ITGB3ITGA2BTSHR
SCHEMBL6622584 0.88 ITGB3 (0.49) ITGB3ITGA2B
SCHEMBL6622583 0.88 ITGB3 (0.49) ITGB3ITGA2B
SCHEMBL7149068 0.87 ITGB3 (0.58) CYP2D6ITGB3ITGA2BALDH1A1CYP3A4
Acetic Acid SCHEMBL6621008 0.86 ITGB3 (0.53) CYP2D6ITGB3ITGA2B
SCHEMBL6778113 0.80 ITGB3 (0.43) ITGB3ITGA2BTSHR
SCHEMBL6778116 0.80 ITGB3 (0.43) ITGB3ITGA2BTSHR
SCHEMBL7147856 0.77 MMP2 (0.58) ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0854869-B1 SPIRO COMPOUNDS AS INHIBITORS OF FIBRINOGEN-DEPENDENT PLATELET AGGREGATION LILLY CO ELI (US) 2004-08-25 EP disclosed
US-6693109-B2 SUCH AS ETHYL(3-(4-(AMINOIMINOMETHYL)PHENYL)-1-OXA-2,8-DIAZA-SPIRO(4.5)DEC-2-EN-8 -YL)ACETATE ELI LILLY AND COMPANY 2004-02-17 US disclosed
US-20030171373-A1 Spiro compounds as inhibitors of fibrinogen-dependent platelet aggregation FISHER MATTHEW J (US) 2003-09-11 US disclosed
US-6291469-B1 Spiro compounds as inhibitors of fibrinogen-dependent platelet aggregation ELI LILLY AND COMPANY 2001-09-18 US disclosed
EP-0854869-A1 SPIRO COMPOUNDS AS INHIBITORS OF FIBRINOGEN-DEPENDENT PLATELET AGGREGATION ELI LILLY AND COMPANY (US) 1998-07-29 EP disclosed
WO-1997011940-A1 SPIRO COMPOUNDS AS INHIBITORS OF FIBRINOGEN-DEPENDENT PLATELET AGGREGATION ELI LILLY AND COMPANY (US) 1997-04-03 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-20030171373-A1 Spiro compounds as inhibitors of fibrinogen-dependent platelet aggregation PF4, PFKP, SELP CYP2D6 3270/4885ITGB3 57/4885ITGA2B 44/4885

“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.