Sugi Predict

Sugi Predict / Compounds / SCHEMBL3371980

SCHEMBL3371980

SCHEMBL3371980

CCC(C)(Oc1ccccn1)C(=O)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.44
▸ ALDH1A1 P00352 3/20 0.42
▸ TSHR P16473 2/20 0.41
▸ PKM P14618 1/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SENP8 Q96LD8 1/20 0.41
▸ SENP7 Q9BQF6 1/20 0.41
▸ SENP6 Q9GZR1 1/20 0.41
▸ POLB P06746 2/20 0.41
▸ CHRM2 P08172 1/20 0.41
▸ CHRM4 P08173 1/20 0.41
▸ CHRM5 P08912 1/20 0.41
▸ CHRM1 P11229 1/20 0.41
▸ CHRM3 P20309 1/20 0.41
▸ MAOB P27338 1/20 0.40
▸ CNR1 P21554 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ LMNA P02545 2/20 0.38
▸ KMT2A Q03164 2/20 0.38

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
SCHEMBL3369844 0.82 TSHR (0.48) L3MBTL1ALDH1A1TSHRRAB9APOLB
SCHEMBL22043164 0.74 ALDH1A1 (0.50) L3MBTL1ALDH1A1TSHRPKMCASP3
SCHEMBL18671841 0.73 ALDH1A1 (0.53) L3MBTL1ALDH1A1TSHRRAB9ALMNA
SCHEMBL17617218 0.73 ALDH1A1 (0.46) L3MBTL1ALDH1A1TSHRRAB9AMAOB
SCHEMBL17617162 0.73 ALDH1A1 (0.46) L3MBTL1ALDH1A1TSHRRAB9AMAOB
SCHEMBL5660644 0.73 OPRK1 (0.60) L3MBTL1ALDH1A1PKMMAOBLMNA
SCHEMBL116845 0.73 ALDH1A1 (0.56) L3MBTL1ALDH1A1TSHRRAB9ALMNA
SCHEMBL11015123 0.73 ALDH1A1 (0.56) L3MBTL1ALDH1A1TSHRRAB9ALMNA
SCHEMBL16407811 0.72 ALDH1A1 (0.46) L3MBTL1ALDH1A1TSHRRAB9ACHRM2
SCHEMBL5520187 0.72 TSHR (0.43) L3MBTL1ALDH1A1TSHRRAB9APOLB

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 3168/4885ALDH1A1 2986/4885TSHR 651/4885
US-20040058820-A1 Central nervous system disorders; psychological disorders; antiinflammatory agents; multiple sclerosis CNR1, CNR2, MAG L3MBTL1 3941/4885ALDH1A1 3568/4885TSHR 1098/4885
US-20090137529-A1 SUBSTITUTED ESTERS AS CANNABINOID-1 RECEPTOR MODULATORS CNR1, CNR2, CHRNA10 L3MBTL1 1971/4885ALDH1A1 2210/4885TSHR 1314/4885
US-20090258884-A1 Substituted amides CNR1, CNR2, FAAH L3MBTL1 3168/4885ALDH1A1 2986/4885TSHR 651/4885
US-20050234061-A1 Substituted amides CNR1, CNR2, FAAH L3MBTL1 3168/4885ALDH1A1 2986/4885TSHR 651/4885

“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.