SCHEMBL4460413

SCHEMBL4460413

COc1ccc(N(c2cccc(Cl)n2)C(c2cccnc2F)c2cccnc2F)cn1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OXTR P30559 14/20 0.34
AVPR1A P37288 5/20 0.33
CRHR1 P34998 1/20 0.33
AVPR2 P30518 1/20 0.32
NNMT P40261 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP19A1 P11511 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.31

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
SCHEMBL4464269 0.92 CYP19A1 (0.34) OXTRAVPR1ACRHR1CYP19A1
SCHEMBL4461912 0.87 OXTR (0.33) OXTRAVPR1AAVPR2NNMTCYP19A1
SCHEMBL4459564 0.84 CYP19A1 (0.36) OXTRCRHR1CYP19A1
SCHEMBL4461775 0.81 KDM4E (0.33) OXTRCYP19A1
SCHEMBL4470602 0.80 KCNA5 (0.35) OXTRCRHR1CYP19A1
SCHEMBL4453034 0.76 KCNA5 (0.33) SMN1; SMN2CYP19A1
SCHEMBL4462686 0.74 CYP19A1 (0.40) OXTRCRHR1CYP19A1
SCHEMBL4469190 0.71 CYP19A1 (0.36) OXTRCYP19A1
SCHEMBL4464219 0.70 CYP19A1 (0.41) OXTRAVPR1ACYP19A1
SCHEMBL14435718 0.70 PDE4D (0.37) OXTRAVPR1ACYP19A1

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
US-20090030043-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-01-29 US claimed
US-20090030043-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-01-29 US disclosed
EP-1981507-A2 POTASSIUM CHANNEL INHIBITORS Merck & Co., Inc. (US) 2008-10-22 EP disclosed
WO-2007089679-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2007-08-09 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-20090030043-A1 Potassium Channel Inhibitors KCNJ2, KCNH2, KCNH3 OXTR 2684/4885AVPR1A 2586/4885CRHR1 4833/4885

“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.