SCHEMBL3328982

SCHEMBL3328982

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

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 20/20 0.59
MTNR1B P49286 14/20 0.59
HTR2C P28335 7/20 0.53
NQO2 P16083 1/20 0.46
HTR2B P41595 1/20 0.45

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
SCHEMBL29032172 0.89 MTNR1A (0.53) MTNR1AMTNR1BHTR2CNQO2
SCHEMBL3640537 0.88 MTNR1A (0.53) MTNR1AMTNR1BHTR2CNQO2HTR2B
SCHEMBL8858633 0.84 ALDH1A1 (0.44) MTNR1AMTNR1B
SCHEMBL5121759 0.79 MTNR1A (0.55) MTNR1AMTNR1BHTR2CNQO2HTR2B
SCHEMBL4583332 0.79 MTNR1A (0.54) MTNR1AMTNR1BHTR2CNQO2HTR2B
SCHEMBL10565825 0.76 MTNR1A (0.56) MTNR1AMTNR1BHTR2CNQO2HTR2B
SCHEMBL17091260 0.76 MTNR1A (0.53) MTNR1AMTNR1BHTR2CNQO2
SCHEMBL31724242 0.75 L3MBTL1 (0.48) MTNR1AMTNR1B
SCHEMBL5432800 0.75 L3MBTL1 (0.48) MTNR1AMTNR1B
SCHEMBL299431 0.74 PTGS2 (0.57) MTNR1AMTNR1BHTR2CNQO2

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 19 patents. 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
EP-1873140-B1 New naphthalene derivatives, method of preparing same and pharmaceutical compositions containing them SERVIER LAB (FR) 2009-09-30 EP disclosed
US-7462741-B2 Naphthalene compounds LES LABORATOIRES SERVIER (FR) 2008-12-09 US disclosed
US-7462741-B2 Naphthalene compounds LES LABORATOIRES SERVIER (FR) 2008-12-09 US disclosed
US-7462741-B2 Naphthalene compounds LES LABORATOIRES SERVIER (FR) 2008-12-09 US disclosed
US-7435850-B2 Naphthalene compounds LES LABORATOIRES SERVIER (FR) 2008-10-14 US disclosed
US-7435850-B2 Naphthalene compounds LES LABORATOIRES SERVIER (FR) 2008-10-14 US disclosed
US-7435850-B2 Naphthalene compounds LES LABORATOIRES SERVIER (FR) 2008-10-14 US disclosed
US-20080004350-A1 Naphthalene compounds LES LABORATOIRES SERVIER (FR) 2008-01-03 US disclosed
US-20080004350-A1 Naphthalene compounds LES LABORATOIRES SERVIER (FR) 2008-01-03 US disclosed
US-20080004350-A1 Naphthalene compounds LES LABORATOIRES SERVIER (FR) 2008-01-03 US disclosed
US-20080004349-A1 e.g. N-[(2S)-3-hydroxy-2-(7-methoxy-1-naphthyl)propyl]propanamide; N-[(2S)-3-hydroxy-2-(7-methoxy-1-naphthyl)propyl]propanamide; melatonin receptor antagonist; antidepressant, anxiolytic agent; sleep disorders, stress, cardiovascular and digestive system pathologies, schizophrenia, obesity, epilepsy LES LABORATOIRES SERVIER (FR) 2008-01-03 US disclosed
US-20080004349-A1 e.g. N-[(2S)-3-hydroxy-2-(7-methoxy-1-naphthyl)propyl]propanamide; N-[(2S)-3-hydroxy-2-(7-methoxy-1-naphthyl)propyl]propanamide; melatonin receptor antagonist; antidepressant, anxiolytic agent; sleep disorders, stress, cardiovascular and digestive system pathologies, schizophrenia, obesity, epilepsy LES LABORATOIRES SERVIER (FR) 2008-01-03 US disclosed
US-20080004349-A1 e.g. N-[(2S)-3-hydroxy-2-(7-methoxy-1-naphthyl)propyl]propanamide; N-[(2S)-3-hydroxy-2-(7-methoxy-1-naphthyl)propyl]propanamide; melatonin receptor antagonist; antidepressant, anxiolytic agent; sleep disorders, stress, cardiovascular and digestive system pathologies, schizophrenia, obesity, epilepsy LES LABORATOIRES SERVIER (FR) 2008-01-03 US disclosed
US-20080004348-A1 Naphthalene compounds LES LABORATOIRES SERVIER (FR) 2008-01-03 US disclosed
WO-2008000967-A1 NOVEL NAPHTHALENIC DERIVATIVES, METHOD FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2008-01-03 WO disclosed
WO-2008000968-A1 NOVEL NAPHTHALENIC DERIVATIVES, METHOD FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2008-01-03 WO disclosed
EP-1873140-A1 New naphthalene derivatives, method of preparing same and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2008-01-02 EP disclosed
EP-1873139-A1 New naphthalene derivatives, method of preparing same and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2008-01-02 EP 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 (4 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
US-20080004349-A1 e.g. N-[(2S)-3-hydroxy-2-(7-methoxy-1-naphthyl)propyl]propanamide; N-[(2S)-3-hydroxy-2-(7-methoxy-1-naphthyl)propyl]propanamide; melatonin receptor antagonist; antidepressant, anxiolytic agent; sleep disorders, stress, cardiovascular and digestive system pathologies, schizophrenia, obesity, epilepsy MTNR1A, MTNR1B, TPH1 MTNR1A 1/4885MTNR1B 2/4885HTR2C 7/4885
US-20080004348-A1 Naphthalene compounds MTNR1A, MTNR1B, CNR1 MTNR1A 1/4885MTNR1B 2/4885HTR2C 53/4885
US-20080004350-A1 Naphthalene compounds MTNR1A, MTNR1B, CYP11B2 MTNR1A 1/4885MTNR1B 2/4885HTR2C 164/4885

“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.