SCHEMBL1674965

SCHEMBL1674965

COc1cccc(C(=O)n2c(C(=O)NC3CCN(C(C)C)CC3)cc3ccccc32)c1

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 17/20 0.73
MCHR1 Q99705 2/20 0.52
F2 P00734 1/20 0.50
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48

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
SCHEMBL8354393 0.89 F10 (0.60) F10F2
SCHEMBL15911398 0.88 F10 (0.60) F10MCHR1ALDH1A1TSHR
SCHEMBL1675138 0.84 F10 (1.00) F10MCHR1F2
SCHEMBL1675257 0.81 F10 (1.00) F10F2
SCHEMBL1675265 0.80 F10 (0.70) F10F2
SCHEMBL13900158 0.80 F10 (0.85) F10F2
SCHEMBL1674977 0.79 F10 (0.84) F10MCHR1F2
SCHEMBL8358647 0.77 F10 (0.86) F10F2
SCHEMBL15911673 0.77 F10 (0.77) F10MCHR1F2
SCHEMBL1675199 0.77 F10 (0.83) F10F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4664592-B2 2011-04-06 JP claimed
US-20090069565-A1 NEW INDOLE DERIVATIVES AS FACTOR XA INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-03-12 US disclosed
US-20090069565-A1 NEW INDOLE DERIVATIVES AS FACTOR XA INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-03-12 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-20090069565-A1 NEW INDOLE DERIVATIVES AS FACTOR XA INHIBITORS F12, F5, F2 F10 10/4885MCHR1 628/4885F2 3/4885

“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.