SCHEMBL3370056

SCHEMBL3370056

CC(Oc1ccccn1)C(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.52
LMNA P02545 2/20 0.52
ALDH1A1 P00352 5/20 0.46
TSHR P16473 3/20 0.45
PKM P14618 1/20 0.45
CASP3 P42574 1/20 0.45
RAB9A P51151 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
POLB P06746 1/20 0.45
SLC6A2 P23975 2/20 0.42
PGR P06401 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
PTGS1 P23219 1/20 0.42
ATM Q13315 1/20 0.42
MAPK1 P28482 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
PSMB5 P28074 1/20 0.41
SLC6A3 Q01959 1/20 0.41

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
SCHEMBL11815950 0.83 L3MBTL1 (0.47) L3MBTL1LMNAALDH1A1TSHRPKM
SCHEMBL11813344 0.82 PPARG (0.48) L3MBTL1ALDH1A1TSHRCASP3RAB9A
SCHEMBL3475298 0.81 CXCR2 (0.49) L3MBTL1LMNAALDH1A1TSHRATM
SCHEMBL6641758 0.80 SMN1; SMN2 (0.45) L3MBTL1LMNAALDH1A1TSHRPKM
SCHEMBL5517722 0.80 CYP1A2 (0.50) L3MBTL1LMNAALDH1A1TSHRPKM
SCHEMBL16673428 0.79 LMNA (0.68) L3MBTL1LMNAALDH1A1TSHRPKM
SCHEMBL3526995 0.78 LMNA (0.60) L3MBTL1LMNAALDH1A1PKMPOLB
SCHEMBL201455 0.78 L3MBTL1 (0.48) L3MBTL1LMNAALDH1A1TSHRTDP1
SCHEMBL11813347 0.77 PGR (0.43) L3MBTL1ALDH1A1TSHRPKMCASP3
SCHEMBL27863558 0.76 ALDH1A1 (0.42) L3MBTL1LMNAALDH1A1TSHRPKM

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 28 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-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-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
US-20090137529-A1 SUBSTITUTED ESTERS AS CANNABINOID-1 RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. 2009-05-28 US disclosed
EP-1575901-A4 SUBSTITUTED AMIDES MERCK & CO INC (US) 2009-03-18 EP disclosed
EP-2019593-A1 PRO-DRUGS OF TERTIARY ALCOHOLS Merck & Co., Inc. (US) 2009-02-04 EP disclosed
US-20080194645-A1 Substituted amides MERCK SHARP & DOHME CORP. 2008-08-14 US disclosed
WO-2006041797-A2 ACYCLIC HYDRAZIDES AS CANNABINOID RECEPTOR MODULATORS MERCK & CO., INC. (US) 2006-04-20 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
CN-1639112-A Substituted amides having cannabinoid-1 receptor activity MERCK & CO INC (US) 2005-07-13 CN 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
WO-2004048317-A1 SUBSTITUTED AMIDES ACTIVE AT THE CANNABINOID-1 RECEPTOR MERCK & CO., INC. (US) 2004-06-10 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 (5 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-20080194645-A1 Substituted amides CNR1, CNR2, FAAH L3MBTL1 3168/4885LMNA 1615/4885ALDH1A1 2986/4885
US-20040058820-A1 Central nervous system disorders; psychological disorders; antiinflammatory agents; multiple sclerosis CNR1, CNR2, MAG L3MBTL1 3941/4885LMNA 1882/4885ALDH1A1 3568/4885
US-20090137529-A1 SUBSTITUTED ESTERS AS CANNABINOID-1 RECEPTOR MODULATORS CNR1, CNR2, CHRNA10 L3MBTL1 1971/4885LMNA 2274/4885ALDH1A1 2210/4885
US-20090258884-A1 Substituted amides CNR1, CNR2, FAAH L3MBTL1 3168/4885LMNA 1615/4885ALDH1A1 2986/4885
US-20050234061-A1 Substituted amides CNR1, CNR2, FAAH L3MBTL1 3168/4885LMNA 1615/4885ALDH1A1 2986/4885

“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.