SCHEMBL3476450

SCHEMBL3476450

C[CH]COc1cccnn1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
GOT1 P17174 1/20 0.31
RXRA P19793 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31
P2RX7 Q99572 1/20 0.31

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
SCHEMBL31151688 0.78
SCHEMBL1692004 0.78
Ammonia Solution, Strong SCHEMBL3579080 0.76 GABRG2 (0.41) HDAC1HDAC6HDAC5CTDSP1GOT1
SCHEMBL3476978 0.76 NPC1 (0.42)
SCHEMBL4276013 0.74 NPC1 (0.39) CTDSP1
SCHEMBL31092422 0.74
SCHEMBL6706994 0.74
SCHEMBL3076211 0.74
SCHEMBL23975682 0.73 TSHR (0.39) HDAC1HDAC6HDAC5CTDSP1P2RX7
SCHEMBL4272287 0.73 CYP2D6 (0.44)

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-7816534-B2 Substituted amides MERCK SHARP & DOHME CORP. (US) 2010-10-19 US disclosed
US-7754188-B2 Radiolabeled cannabinoid-1 receptor modulators MERCK SHARP & DOHME CORP. (US) 2010-07-13 US disclosed
US-20090258884-A1 Substituted amides MERCK SHARP & DOHME CORP. 2009-10-15 US disclosed
US-7576239-B2 Substituted amides MERCK & CO., INC. (US) 2009-08-18 US disclosed
US-7550489-B2 Substituted pyridyoxy amides MERCK & CO., INC. (US) 2009-06-23 US disclosed
EP-1575901-A4 SUBSTITUTED AMIDES MERCK & CO INC (US) 2009-03-18 EP disclosed
US-20080194645-A1 Substituted amides MERCK SHARP & DOHME CORP. 2008-08-14 US disclosed
US-20080171692-A1 Substituted amides MERCK SHARP & DOHME CORP. 2008-07-17 US disclosed
EP-1496838-A4 SUBSTITUTED AMIDES MERCK & CO INC (US) 2008-07-02 EP disclosed
US-7348456-B2 Substituted amides MERCK & CO., INC. (US) 2008-03-25 US disclosed
US-20060115425-A1 Substituted amides MERCK SHARP & DOHME CORP. 2006-06-01 US disclosed
US-20060106071-A1 Substituted amides MERCK SHARP & DOHME CORP. 2006-05-18 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-20080171692-A1 Substituted amides CNR1, CNR2, FAAH HDAC1 1457/4885HDAC6 1260/4885HDAC5 1897/4885
US-20060106071-A1 Substituted amides CNR1, CNR2, FAAH HDAC1 1457/4885HDAC6 1260/4885HDAC5 1897/4885
US-20080194645-A1 Substituted amides CNR1, CNR2, FAAH HDAC1 1457/4885HDAC6 1260/4885HDAC5 1897/4885
US-20040058820-A1 Central nervous system disorders; psychological disorders; antiinflammatory agents; multiple sclerosis CNR1, CNR2, MAG HDAC1 2169/4885HDAC6 1457/4885HDAC5 2401/4885
US-20060115425-A1 Substituted amides CNR1, CNR2, FAAH HDAC1 1729/4885HDAC6 2969/4885HDAC5 2478/4885
US-20090258884-A1 Substituted amides CNR1, CNR2, FAAH HDAC1 1457/4885HDAC6 1260/4885HDAC5 1897/4885
US-20050234061-A1 Substituted amides CNR1, CNR2, FAAH HDAC1 1457/4885HDAC6 1260/4885HDAC5 1897/4885

“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.