SCHEMBL3166164

SCHEMBL3166164

CC(C)(C)OC(=O)N1CCC(Oc2cc(-c3ccc(Cl)cc3)ccc2C(=O)O)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNB4 O00305 2/20 0.53
CACNA1A O00555 2/20 0.53
CACNA1G O43497 2/20 0.53
CACNG3 O60359 2/20 0.53
CACNA1F O60840 2/20 0.53
CACNA1H O95180 2/20 0.53
CACNB3 P54284 2/20 0.53
CACNA2D1 P54289 2/20 0.53
CACNG7 P62955 2/20 0.53
CACNA1B Q00975 2/20 0.53
CACNA1D Q01668 2/20 0.53
CACNB1 Q02641 2/20 0.53
CACNG1 Q06432 2/20 0.53
CACNB2 Q08289 2/20 0.53
CACNA1S Q13698 2/20 0.53
CACNA1C Q13936 2/20 0.53
CACNA1E Q15878 2/20 0.53
CACNA2D4 Q7Z3S7 2/20 0.53
CACNA2D3 Q8IZS8 2/20 0.53
CACNG8 Q8WXS5 2/20 0.53

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
SCHEMBL3165672 0.91 MEN1 (0.53) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL3152552 0.90 CACNB4 (0.54) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL3160129 0.89 ALDH1A1 (0.54) MEN1KMT2AHPGDHSD17B10PTPN2
SCHEMBL3163946 0.85 GPR119 (0.55) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL3282401 0.85 TOP2A (0.53) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL3164585 0.84 GPR119 (0.51) MEN1KMT2ATOP2APDE4BPDE4A
SCHEMBL3160552 0.83 GPR119 (0.54) MEN1KMT2ATOP2APDE4BPDE4A
SCHEMBL3151575 0.83 PDE4B (0.50) KMT2ATOP2APDE4BPDE4APDE4C
SCHEMBL3165435 0.82 PDE4B (0.54) MEN1KMT2AHPGDHSD17B10PDE4B
SCHEMBL3166432 0.81 PDE4B (0.51) CACNB4CACNA1ACACNA1GCACNG3CACNA1F

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7700628-B2 Aromatic ether derivatives useful as thrombin inhibitors ELI LILLY AND COMPANY (US) 2010-04-20 US disclosed
EP-1817287-B1 AROMATIC ETHER DERIVATIVES USEFUL AS THROMBIN INHIBITORS LILLY CO ELI (US) 2010-02-10 EP disclosed
US-20090227566-A1 AROMATIC ETHER DERIVATIVES USEFUL AS THROMBIN INHIBITORS ELI LILLY AND COMPANY 2009-09-10 US disclosed
EP-1817287-A1 AROMATIC ETHER DERIVATIVES USEFUL AS THROMBIN INHIBITORS Eli Lilly and Company (US) 2007-08-15 EP disclosed
WO-2006057845-A1 AROMATIC ETHER DERIVATIVES USEFUL AS THROMBIN INHIBITORS ELI LILLY AND COMPANY (US) 2006-06-01 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-20090227566-A1 AROMATIC ETHER DERIVATIVES USEFUL AS THROMBIN INHIBITORS TFPI, F2, F11 CACNB4 4484/4885CACNA1A 3137/4885CACNA1G 2633/4885

“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.