SCHEMBL3166233

SCHEMBL3166233

[NH]C(=O)C1CCN(c2ccncc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LSS P48449 2/20 0.50
CHKA P35790 1/20 0.50
ITGB3 P05106 5/20 0.46
ITGA2B P08514 5/20 0.46
HRH3 Q9Y5N1 2/20 0.46
ADRB2 P07550 1/20 0.46
NCF1 P14598 1/20 0.46
PLD1 Q13393 1/20 0.46
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
TSHR P16473 1/20 0.45
F10 P00742 3/20 0.44
NOTUM Q6P988 1/20 0.44

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
SCHEMBL742952 0.84 ITGB3 (0.60) LSSCHKAITGB3ITGA2BNOTUM
SCHEMBL2780304 0.83 CYP3A4 (0.54) LSSCHKAITGB3ITGA2BHRH3
Hydrochloric Acid SCHEMBL3319271 0.83 ITGB3 (0.59) LSSCHKAITGB3ITGA2BHRH3
SCHEMBL16887557 0.83 CYP2C9 (0.53) LSSCHKAITGB3ITGA2BHRH3
SCHEMBL5223348 0.83 LSS (0.50) LSSCHKAITGB3ITGA2BHRH3
Hydrochloric Acid SCHEMBL6798939 0.81 LSS (0.49) LSSCHKAITGB3ITGA2BHRH3
SCHEMBL6769264 0.81 LSS (0.50) LSSCHKAITGB3ITGA2BHRH3
SCHEMBL16887673 0.79 LSS (0.47) LSSCHKAITGB3ITGA2BHRH3
SCHEMBL7011465 0.79 F10 (0.50) LSSITGB3ITGA2BHRH3F10
SCHEMBL5759922 0.79 MAPT (0.62) LSSITGB3ITGA2BHRH3CYP3A4

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
US-7700628-B2 Aromatic ether derivatives useful as thrombin inhibitors ELI LILLY AND COMPANY (US) 2010-04-20 US claimed
EP-1817287-B1 AROMATIC ETHER DERIVATIVES USEFUL AS THROMBIN INHIBITORS LILLY CO ELI (US) 2010-02-10 EP claimed
US-20090227566-A1 AROMATIC ETHER DERIVATIVES USEFUL AS THROMBIN INHIBITORS ELI LILLY AND COMPANY 2009-09-10 US claimed
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

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 LSS 944/4885CHKA 3002/4885ITGB3 1126/4885

“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.