SCHEMBL3372165

SCHEMBL3372165

CC(C)(Oc1cccnc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 6/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ CYP1A2 P05177 2/20 0.50
▸ CYP3A4 P08684 2/20 0.50
▸ CYP2C19 P33261 2/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ CYP2C9 P11712 1/20 0.48
▸ PPARG P37231 5/20 0.47
▸ CNR1 P21554 1/20 0.46
▸ TBXAS1 P24557 2/20 0.46
▸ ALDH1A1 P00352 3/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ FABP2 P12104 1/20 0.44
▸ SLC22A12 Q96S37 1/20 0.44
▸ THRB P10828 1/20 0.43
▸ APP P05067 1/20 0.43

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
SCHEMBL1969926 0.80 PPARA (0.56) PPARAKMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL11063546 0.79 PPARA (0.56) PPARAPPARGTBXAS1
SCHEMBL247466 0.79 PPARA (0.68) PPARAKMT2ACYP1A2CYP3A4CYP2C19
Hydrochloric Acid SCHEMBL11063651 0.78 TBXAS1 (0.56) PPARAPPARGTBXAS1
SCHEMBL3523133 0.78 PPARA (0.61) PPARAKMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL2732089 0.77 LMNA (0.50) KMT2A
Hydrochloric Acid SCHEMBL8889149 0.77 PPARA (0.66) PPARAKMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL7032523 0.77 PPARA (0.66) PPARAKMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL29583666 0.77 LMNA (0.50) KMT2A
Ammonia Solution, Strong SCHEMBL7026339 0.77 PPARA (0.66) PPARAKMT2ACYP1A2CYP3A4CYP2C19

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1575901-B1 SUBSTITUTED AMIDES MERCK SHARP & DOHME (US) 2012-10-10 — — EP disclosed
EP-1575901-B1 SUBSTITUTED AMIDES MERCK SHARP & DOHME (US) 2012-10-10 — — EP disclosed
EP-1496838-B1 SUBSTITUTED AMIDES MERCK SHARP & DOHME (US) 2010-11-03 — — EP disclosed
EP-1496838-B1 SUBSTITUTED AMIDES MERCK SHARP & DOHME (US) 2010-11-03 — — EP disclosed
US-7816534-B2 Substituted amides MERCK SHARP & DOHME CORP. (US) 2010-10-19 — — US disclosed
US-7816534-B2 Substituted amides MERCK SHARP & DOHME CORP. (US) 2010-10-19 — — US disclosed
US-7816534-B2 Substituted amides MERCK SHARP & DOHME CORP. (US) 2010-10-19 — — US disclosed
US-20090258884-A1 Substituted amides MERCK SHARP & DOHME CORP. 2009-10-15 — — US disclosed
US-20090258884-A1 Substituted amides MERCK SHARP & DOHME CORP. 2009-10-15 — — US disclosed
US-20090258884-A1 Substituted amides MERCK SHARP & DOHME CORP. 2009-10-15 — — US disclosed
WO-2007136571-A1 PRO-DRUGS OF TERTIARY ALCOHOLS MERCK & CO., INC. (US) 2007-11-29 — — WO disclosed
US-6972295-B2 Substituted amides MERCK & CO., INC. (US) 2005-12-06 — — US disclosed
US-20050234061-A1 Substituted amides MERCK SHARP & DOHME CORP. 2005-10-20 — — US disclosed
EP-1575901-A2 SUBSTITUTED AMIDES Merck & Co., Inc. (a New Jersey corp.) (US) 2005-09-21 — — EP disclosed
EP-1496838-A2 SUBSTITUTED AMIDES Merck & Co., Inc. (US) 2005-01-19 — — EP disclosed
WO-2004058145-A2 SUBSTITUTED AMIDES MERCK & CO., INC. (US) 2004-07-15 — — WO disclosed
US-20040058820-A1 Central nervous system disorders; psychological disorders; antiinflammatory agents; multiple sclerosis MERCK SHARP & DOHME LLC 2004-03-25 — — US disclosed
WO-2003077847-A2 SUBSTITUTED AMIDES MERCK & CO., INC. (US) 2003-09-25 — — WO disclosed
US-5387585-A Treating epilepsy, anxiety, sleep disorders, schizophrnia, senile dementia HOFFMANN-LA ROCHE INC. (US) 1995-02-07 — — US disclosed
EP-0519307-A2 Tetracyclic Imidazodiazepines F. HOFFMANN-LA ROCHE AG (CH) 1992-12-23 — — 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 (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-20040058820-A1 Central nervous system disorders; psychological disorders; antiinflammatory agents; multiple sclerosis CNR1, CNR2, MAG PPARA 780/4885KMT2A 3170/4885CYP1A2 1121/4885
US-20090258884-A1 Substituted amides CNR1, CNR2, FAAH PPARA 366/4885KMT2A 2292/4885CYP1A2 883/4885
US-20050234061-A1 Substituted amides CNR1, CNR2, FAAH PPARA 366/4885KMT2A 2292/4885CYP1A2 883/4885

“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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