SCHEMBL14005994

SCHEMBL14005994

[2H]C([2H])([2H])Oc1ccc2cccc(C([2H])([2H])C#N)c2c1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.47
MTNR1A P48039 13/20 0.44
MTNR1B P49286 3/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
NQO2 P16083 2/20 0.41

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
SCHEMBL14005971 0.92 HTR2A (0.56) HTR2AMTNR1AMTNR1BHTR2CHTR2B
SCHEMBL3147660 0.87 HTR2A (0.48) HTR2AMTNR1AMTNR1BHTR2CHTR2B
SCHEMBL13523868 0.81 HTR2A (0.52) HTR2AMTNR1AMTNR1BHTR2CHTR2B
SCHEMBL14005991 0.79 MTNR1A (0.48) HTR2AMTNR1AMTNR1BHTR2CHTR2B
SCHEMBL13523869 0.78 HTR2A (0.57) HTR2AMTNR1AMTNR1BHTR2CHTR2B
SCHEMBL3148273 0.77 HTR2A (0.56) HTR2AMTNR1AMTNR1BHTR2CHTR2B
SCHEMBL30449882 0.77 HTR2A (0.58) HTR2AMTNR1AMTNR1BHTR2CHTR2B
SCHEMBL989652 0.77 HTR2A (0.58) HTR2AMTNR1AMTNR1BHTR2CHTR2B
SCHEMBL28070559 0.77 HTR2A (0.58) HTR2AMTNR1AMTNR1BHTR2CHTR2B
SCHEMBL14005904 0.75 MTNR1A (0.55) MTNR1AMTNR1BHTR2CHTR2BNQO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080280991-A1 SUBSTITUTED NAPHTHALENES AUSPEX PHARMACEUTICALS, INC. (US) 2008-11-13 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-20080280991-A1 SUBSTITUTED NAPHTHALENES MTNR1A, MTNR1B, TPH1 HTR2A 6/4885MTNR1A 1/4885MTNR1B 2/4885

“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.