SCHEMBL4393339

SCHEMBL4393339

C[C@H]1C(=O)N(Cc2ccc3c(N)ccnc3c2)CCN1C(=O)/C=C/c1cc(Br)cs1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 8/20 0.35
CCR1 P32246 3/20 0.32
KCNA3 P22001 1/20 0.31
GRM2 Q14416 1/20 0.31
SCD O00767 1/20 0.30

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
SCHEMBL4393342 1.00 F10 (0.35) F10CCR1KCNA3GRM2SCD
SCHEMBL4390106 1.00 F10 (0.35) F10CCR1KCNA3GRM2SCD
SCHEMBL1651981 1.00 F10 (0.35) F10CCR1KCNA3GRM2SCD
SCHEMBL4388395 0.91 F10 (0.34) F10CCR1KCNA3
SCHEMBL4385771 0.91 F10 (0.34) F10CCR1KCNA3
SCHEMBL1651591 0.91 F10 (0.34) F10CCR1KCNA3
SCHEMBL4385775 0.91 F10 (0.34) F10CCR1KCNA3
SCHEMBL4387325 0.90 SMYD3 (0.33) F10CCR1KCNA3
SCHEMBL27530303 0.90 SMYD3 (0.33) F10CCR1KCNA3
SCHEMBL4390090 0.89 F10 (0.46) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040102450-A1 Substituted oxoazaheterocyclyl compounds AVENTIS PHARMACEUTICALS INC. (US) 2004-05-27 US claimed
US-7612075-B2 Substituted oxoazaheterocyclyl compounds AVENTIS PHARMACEUTICALS INC. (US) 2009-11-03 US disclosed
US-20040102450-A1 Substituted oxoazaheterocyclyl compounds AVENTIS PHARMACEUTICALS INC. (US) 2004-05-27 US disclosed
EP-1208097-A2 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS Aventis Pharmaceuticals Inc. (US) 2002-05-29 EP disclosed
WO-2001007436-A2 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 2001-02-01 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-20040102450-A1 Substituted oxoazaheterocyclyl compounds F13B, F9, F11 F10 12/4885CCR1 2932/4885KCNA3 1535/4885

“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.