SCHEMBL1674970

SCHEMBL1674970

COc1cccc(Cn2c(C(=O)NC3CCN(C(C)C)CC3)cc3c(OC)cccc32)c1

nearest known ligand 0.78

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 0.78
DRD4 P21917 2/20 0.50
MAPT P10636 1/20 0.48
KCNH2 Q12809 1/20 0.48
MCHR1 Q99705 1/20 0.48
CCR8 P51685 1/20 0.46
SIGMAR1 Q99720 1/20 0.46

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
SCHEMBL5619430 0.90 F10 (0.76) F10DRD4KCNH2MCHR1SIGMAR1
SCHEMBL15911591 0.88 F10 (0.63) F10DRD4MAPTKCNH2MCHR1
SCHEMBL1675257 0.88 F10 (1.00) F10DRD4
SCHEMBL1675042 0.86 F10 (0.87) F10DRD4
SCHEMBL1675142 0.86 F10 (0.87) F10DRD4MCHR1
SCHEMBL1652652 0.86 F10 (0.69) F10DRD4KCNH2MCHR1
SCHEMBL1652651 0.85 F10 (0.69) F10DRD4KCNH2MCHR1
SCHEMBL1675474 0.84 F10 (0.82) F10
SCHEMBL1675035 0.84 F10 (0.82) F10DRD4
SCHEMBL1675328 0.82 F10 (0.72) F10

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
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
WO-2003044014-A1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-05-30 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-20090069565-A1 NEW INDOLE DERIVATIVES AS FACTOR XA INHIBITORS F12, F5, F2 F10 10/4885DRD4 1029/4885MAPT 4690/4885

“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.