SCHEMBL3148273

SCHEMBL3148273

[2H]C([2H])([2H])Oc1ccc2cccc(CCN)c2c1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.56
MTNR1A P48039 13/20 0.56
MTNR1B P49286 2/20 0.50
HTR2C P28335 1/20 0.50
HTR2B P41595 1/20 0.50
NQO2 P16083 1/20 0.48
DHODH Q02127 1/20 0.47

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
SCHEMBL124465 0.89 HTR2A (0.68) HTR2AMTNR1AMTNR1BHTR2CHTR2B
SCHEMBL29594789 0.89 HTR2A (0.68) HTR2AMTNR1AMTNR1BHTR2CHTR2B
Hydrochloric Acid SCHEMBL29421606 0.88 HTR2A (0.67) HTR2AMTNR1AMTNR1BHTR2CHTR2B
Bromide SCHEMBL15661932 0.88 HTR2A (0.67) HTR2AMTNR1AMTNR1BHTR2CHTR2B
Hydrochloric Acid SCHEMBL577758 0.88 HTR2A (0.67) HTR2AMTNR1AMTNR1BHTR2CHTR2B
SCHEMBL13523869 0.87 HTR2A (0.57) HTR2AMTNR1AMTNR1BHTR2CHTR2B
Carbon Dioxide SCHEMBL14861874 0.84 MTNR1A (0.65) HTR2AMTNR1AMTNR1BHTR2CHTR2B
SCHEMBL14005991 0.84 MTNR1A (0.48) HTR2AMTNR1AMTNR1BHTR2CHTR2B
SCHEMBL13523868 0.83 HTR2A (0.52) HTR2AMTNR1AMTNR1BHTR2CHTR2B
SCHEMBL13523847 0.81 ADRA1A (0.45) HTR2AMTNR1AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2150525-A1 NAPHTHYL(ETHYL) ACETAMIDES Concert Pharmaceuticals Inc. (US) 2010-02-10 EP disclosed
US-20100004340-A1 NAPHTHYL(ETHYL) ACETAMIDES CONCERT PHARMACEUTICALS, INC. (US) 2010-01-07 US disclosed
US-20100004340-A1 NAPHTHYL(ETHYL) ACETAMIDES CONCERT PHARMACEUTICALS, INC. (US) 2010-01-07 US disclosed
US-7608737-B2 Naphthyl(ethyl)acetamides Concert Pharmaceuticasl Inc. (US) 2009-10-27 US disclosed
WO-2008137461-A1 NAPHTHYL(ETHYL) ACETAMIDES CONCERT PHARMACEUTICALS INC. (US) 2008-11-13 WO disclosed
US-20080280908-A1 NAPHTHYL(ETHYL) ACETAMIDES CONCERT PHARMACEUTICALS INC. (US) 2008-11-13 US disclosed
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 (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-20080280908-A1 NAPHTHYL(ETHYL) ACETAMIDES AANAT, MTNR1A, TPH2 HTR2A 4/4885MTNR1A 2/4885MTNR1B 5/4885
US-20080280991-A1 SUBSTITUTED NAPHTHALENES MTNR1A, MTNR1B, TPH1 HTR2A 6/4885MTNR1A 1/4885MTNR1B 2/4885
US-20100004340-A1 NAPHTHYL(ETHYL) ACETAMIDES AANAT, MTNR1A, TPH2 HTR2A 4/4885MTNR1A 2/4885MTNR1B 5/4885

“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.