SCHEMBL3368880

SCHEMBL3368880

CC(C)(Oc1ccccn1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TSHR P16473 1/20 0.46
POLB P06746 1/20 0.44
PPARG P37231 8/20 0.43
PPARA Q07869 5/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP4A11 Q02928 4/20 0.43
CYP4F2 P78329 2/20 0.41
LMNA P02545 2/20 0.41
NAPRT Q6XQN6 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
SCHEMBL5516643 0.86 TSHR (0.46) CNR1CNR2KDM4EALDH1A1HSD17B10
SCHEMBL8181044 0.81 PPARG (0.44) CNR1CNR2KDM4EALDH1A1TSHR
SCHEMBL1967963 0.80 TSHR (0.42) CNR1CNR2KDM4EALDH1A1HSD17B10
SCHEMBL3369844 0.80 TSHR (0.48) CNR1CNR2ALDH1A1TSHRPOLB
SCHEMBL10844188 0.80 TSHR (0.42) CNR1CNR2KDM4EALDH1A1HSD17B10
SCHEMBL24497189 0.79 LMNA (0.41) CNR1CNR2KDM4EALDH1A1TSHR
SCHEMBL5520187 0.78 TSHR (0.43) CNR1CNR2ALDH1A1TSHRPOLB
SCHEMBL3372140 0.77 PPARA (0.42) KDM4EALDH1A1HSD17B10TSHRPOLB
SCHEMBL3527685 0.77 PPARA (0.42) KDM4EALDH1A1HSD17B10TSHRPOLB
SCHEMBL3374872 0.77 PPARA (0.44) KDM4EALDH1A1HSD17B10TSHRPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240132450-A1 MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 ACADIA PHARMACEUTICALS INC. 2024-04-25 US disclosed
EP-4263492-A1 MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 ACADIA Pharmaceuticals Inc. (US) 2023-10-25 EP disclosed
WO-2022129933-A1 MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 Pandeia Therapeutics Limited (GB) 2022-06-23 WO 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-7754188-B2 Radiolabeled cannabinoid-1 receptor modulators MERCK SHARP & DOHME CORP. (US) 2010-07-13 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
CN-1639112-A Substituted amides having cannabinoid-1 receptor activity MERCK & CO INC (US) 2005-07-13 CN disclosed
WO-2005009479-A1 RADIOLABELED CANNABINOID-1 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2005-02-03 WO 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 (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-20240132450-A1 MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 GPR88, GPR65, GPR68 CNR1 102/4885CNR2 169/4885KDM4E 4242/4885
US-20040058820-A1 Central nervous system disorders; psychological disorders; antiinflammatory agents; multiple sclerosis CNR1, CNR2, MAG CNR1 1/4885CNR2 2/4885KDM4E 3788/4885
US-20050234061-A1 Substituted amides CNR1, CNR2, FAAH CNR1 1/4885CNR2 2/4885KDM4E 3097/4885

“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.