SCHEMBL14729138

SCHEMBL14729138

CN1C2CCC1c1c(n(CC(C)(O)c3ccncc3)c3ccc(CO)cc13)C2

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.37
SIGMAR1 Q99720 2/20 0.32
MCHR1 Q99705 2/20 0.32

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
SCHEMBL6920114 0.89 HTR6 (0.38) HTR6SIGMAR1MCHR1
SCHEMBL6920889 0.88 PER2 (0.41) HTR6
SCHEMBL6921529 0.86 MAOA (0.39) HTR6MCHR1
SCHEMBL6921471 0.86 SIGMAR1 (0.43) HTR6SIGMAR1MCHR1
SCHEMBL6920758 0.85 HTR6 (0.36) HTR6SIGMAR1MCHR1
SCHEMBL6919964 0.83 HTR6 (0.35) HTR6SIGMAR1MCHR1
SCHEMBL6920668 0.82 HTR6 (0.33) HTR6SIGMAR1MCHR1
SCHEMBL15290458 0.81 HTR6 (0.40) HTR6SIGMAR1MCHR1
SCHEMBL14729146 0.81 SIGMAR1 (0.34) HTR6SIGMAR1
SCHEMBL6920567 0.80 HTR6 (0.31) HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9550782-B2 Compounds and methods for treating diabetes MEDIVATION TECHNOLOGIES, INC. (US) 2017-01-24 US disclosed
US-9006263-B2 Compounds and methods for treatment of hypertension MEDIVATION TECHNOLOGIES, INC. (US) 2015-04-14 US disclosed
US-8791132-B2 Compounds and methods for treatment of hypertension MEDIVATION TECHNOLOGIES, INC. (US) 2014-07-29 US disclosed
US-20140088086-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION MEDIVATION TECHNOLOGIES, INC. (US) 2014-03-27 US disclosed
US-20130190294-A1 COMPOUNDS AND METHODS FOR TREATING DIABETES MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 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 (3 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 47/4885SIGMAR1 761/4885MCHR1 88/4885
US-20130190294-A1 COMPOUNDS AND METHODS FOR TREATING DIABETES ADRB2, ADRA2B, ADRA2C HTR6 88/4885SIGMAR1 2010/4885MCHR1 124/4885
US-20140088086-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION ADRB2, ADRA2B, ADRB1 HTR6 47/4885SIGMAR1 761/4885MCHR1 88/4885

“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.