SCHEMBL3753642

SCHEMBL3753642

CCOc1ccc(-c2ccc(C(=O)OC)cc2)c(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.51
SRD5A2 P31213 1/20 0.49
FFAR1 O14842 2/20 0.49
FFAR4 Q5NUL3 1/20 0.49
MAPT P10636 3/20 0.49
ALDH1A1 P00352 2/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
RECQL P46063 1/20 0.47
EGFR P00533 2/20 0.47
PRKAB2 O43741 2/20 0.46
PRKAG1 P54619 2/20 0.46
PRKAA2 P54646 2/20 0.46
PRKAA1 Q13131 2/20 0.46
PRKAG3 Q9UGI9 2/20 0.46
PRKAG2 Q9UGJ0 2/20 0.46
PRKAB1 Q9Y478 2/20 0.46
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
CA1 P00915 1/20 0.45

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
SCHEMBL3750017 0.86 SRD5A2 (0.60) ERN1SRD5A2FFAR1FFAR4PRKAB2
SCHEMBL3753608 0.86 KDM4E (0.59) MAPTALDH1A1HPGDEGFRRAB9A
SCHEMBL3748314 0.82 EGFR (0.48) SRD5A2FFAR4MAPTALDH1A1EGFR
SCHEMBL3743373 0.81 CYP2C9 (0.47) FFAR1FFAR4EGFRCA1CA2
SCHEMBL14926635 0.81 MAPT (0.68) MAPTALDH1A1GAAHPGDRECQL
SCHEMBL29996776 0.81 SRD5A2 (0.57) ERN1SRD5A2FFAR1FFAR4MAPT
SCHEMBL27015336 0.81 SRD5A2 (0.57) ERN1SRD5A2FFAR1FFAR4MAPT
SCHEMBL1528932 0.80 KDM4E (0.59) SRD5A2MAPTALDH1A1HPGDEGFR
SCHEMBL4300304 0.80 SRD5A2 (0.60) SRD5A2MAPTEGFRRAB9ANPC1
SCHEMBL204175 0.79 MAPT (0.75) MAPTALDH1A1GAAHPGDRAB9A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7838543-B2 Melanin Concentrating Hormone Receptor 1; Obesity; 4'-Fluoro-biphenyl-4-carboxylic acid {2-[(2-dimethylamino-ethyl)-methyl-amino]-benzothiazol-6-yl}amide; 4-Cyclohexyl-N-{2-[(2-dimethylamino-ethyl)-methyl-amino]-benzooxazol-5-yl}-benzamide; 2-aminobenzoxazoles or 2-aminobenzothiazoles ELI LILLY AND COMPANY (US) 2010-11-23 US disclosed
US-7838543-B2 Melanin Concentrating Hormone Receptor 1; Obesity; 4'-Fluoro-biphenyl-4-carboxylic acid {2-[(2-dimethylamino-ethyl)-methyl-amino]-benzothiazol-6-yl}amide; 4-Cyclohexyl-N-{2-[(2-dimethylamino-ethyl)-methyl-amino]-benzooxazol-5-yl}-benzamide; 2-aminobenzoxazoles or 2-aminobenzothiazoles ELI LILLY AND COMPANY (US) 2010-11-23 US disclosed
US-7838543-B2 Melanin Concentrating Hormone Receptor 1; Obesity; 4'-Fluoro-biphenyl-4-carboxylic acid {2-[(2-dimethylamino-ethyl)-methyl-amino]-benzothiazol-6-yl}amide; 4-Cyclohexyl-N-{2-[(2-dimethylamino-ethyl)-methyl-amino]-benzooxazol-5-yl}-benzamide; 2-aminobenzoxazoles or 2-aminobenzothiazoles ELI LILLY AND COMPANY (US) 2010-11-23 US disclosed
US-20090170913-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2009-07-02 US disclosed
US-20090170913-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2009-07-02 US disclosed
US-20090170913-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2009-07-02 US disclosed
EP-1828177-B1 NOVEL MCH RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-08-13 EP disclosed
EP-1828177-B1 NOVEL MCH RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-08-13 EP disclosed
EP-1828177-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2007-09-05 EP disclosed
WO-2006066173-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2006-06-22 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 (1 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-20090170913-A1 NOVEL MCH RECEPTOR ANTAGONISTS MCHR1, MCHR2, MC1R ERN1 3247/4885SRD5A2 1228/4885FFAR1 106/4885

“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.