SCHEMBL3326781

SCHEMBL3326781

COC(=O)C(C)(C#N)c1cccc2ccc(OC)cc12

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 18/20 0.49
▸ MTNR1B P49286 5/20 0.47
▸ HTR2C P28335 1/20 0.47
▸ HTR2B P41595 1/20 0.47
▸ NQO2 P16083 1/20 0.46

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
SCHEMBL3632205 0.89 MTNR1A (0.47) MTNR1AMTNR1BHTR2CHTR2BNQO2
SCHEMBL17187860 0.80 CYP1A2 (0.44) MTNR1AMTNR1BHTR2CHTR2B
SCHEMBL4584420 0.75 MTNR1A (0.44) MTNR1AMTNR1BHTR2CHTR2BNQO2
SCHEMBL22967806 0.75 CYP1A2 (0.52) MTNR1AMTNR1BHTR2CHTR2BNQO2
SCHEMBL12505926 0.72 CYP1A2 (0.48) MTNR1AMTNR1BHTR2CHTR2B
SCHEMBL28873491 0.70 TRPV1 (0.50) MTNR1AMTNR1BHTR2CHTR2B
SCHEMBL18428158 0.70 MTNR1A (0.48) MTNR1AMTNR1BHTR2CHTR2B
SCHEMBL10850345 0.69 MTNR1A (0.41) MTNR1AMTNR1BHTR2CHTR2BNQO2
SCHEMBL3328982 0.68 MTNR1A (0.59) MTNR1AMTNR1BHTR2CHTR2BNQO2
SCHEMBL7921792 0.68 MPL (0.54) 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-20100137446-A1 NAPHTHALENE COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2010-06-03 — — 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-20100137446-A1 NAPHTHALENE COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MTNR1A, MTNR1B, AHR MTNR1A 1/4885MTNR1B 2/4885HTR2C 42/4885

“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.

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