SCHEMBL14729243

SCHEMBL14729243

CCN1C2CCC1c1c(n(CC(CC(=O)NC)c3ccncn3)c3ccc(Cl)cc13)C2

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.36
BAZ2B Q9UIF8 2/20 0.34
KRAS P01116 4/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
MAPK8 P45983 1/20 0.31
SIGMAR1 Q99720 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
SCHEMBL14733461 1.00 HTR6 (0.36) HTR6BAZ2BKRASPTGDR2MAPK8
SCHEMBL15087551 0.92 BAZ2B (0.35) HTR6BAZ2BKRASPTGDR2MAPK8
SCHEMBL14729250 0.87 KRAS (0.37) HTR6BAZ2BKRASPTGDR2MAPK8
SCHEMBL14733464 0.84 HTR6 (0.38) HTR6BAZ2BKRASPTGDR2MAPK8
SCHEMBL14729246 0.84 HTR6 (0.36) HTR6BAZ2BKRASPTGDR2MAPK8
SCHEMBL13834547 0.83 HTR6 (0.37) HTR6BAZ2BPTGDR2SIGMAR1
SCHEMBL15086179 0.82 HTR6 (0.35) HTR6PTGDR2
SCHEMBL6921531 0.81 MAPK8 (0.34) HTR6KRASPTGDR2MAPK8
SCHEMBL14729240 0.81 HTR6 (0.38) HTR6SIGMAR1
SCHEMBL13834549 0.80 HTR6 (0.39) HTR6BAZ2BKRASPTGDR2SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8791132-B2 Compounds and methods for treatment of hypertension MEDIVATION TECHNOLOGIES, INC. (US) 2014-07-29 US disclosed
US-20130053366-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION MEDIVATION TECHNOLOGIES, INC. 2013-02-28 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-20130053366-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION ADRB2, ADRA2B, ADRB1 HTR6 47/4885BAZ2B 576/4885KRAS 4179/4885

“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.