SCHEMBL3748631

SCHEMBL3748631

O=C(O)c1ccc(-c2ccc(C(F)(F)F)cc2Cl)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 1/20 0.60
SRD5A2 P31213 3/20 0.59
RXRA P19793 1/20 0.57
RXRB P28702 1/20 0.57
RXRG P48443 1/20 0.57
MAP4K4 O95819 1/20 0.52
MAPK1 P28482 2/20 0.50
MAP2K4 P45985 2/20 0.50
MAPK6 Q16659 2/20 0.50
MAPKAPK3 Q16644 1/20 0.50
MAPKAPK5 Q8IW41 1/20 0.50
ADH5 P11766 1/20 0.48
EIF4E P06730 1/20 0.47
MRGPRX4 Q96LA9 4/20 0.47
PPARD Q03181 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.46
PSEN1 P49768 1/20 0.46
PSEN2 P49810 1/20 0.46
APH1B Q8WW43 1/20 0.46

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
SCHEMBL4651406 0.83 APP (0.64) CYP2C8SRD5A2RXRARXRBRXRG
SCHEMBL6253145 0.81 SRD5A2 (0.72) SRD5A2RXRARXRBMAP4K4ADH5
SCHEMBL23226638 0.81 CYP2C8 (0.60) CYP2C8SRD5A2RXRARXRBRXRG
SCHEMBL27926226 0.80 GRM2 (0.52) MRGPRX4PTGDR2
Hydrochloric Acid SCHEMBL9812960 0.80 SRD5A2 (0.70) SRD5A2RXRARXRBMAP4K4ADH5
SCHEMBL4597071 0.79 CYP2C8 (0.65) CYP2C8SRD5A2RXRARXRBRXRG
SCHEMBL3758566 0.79 SRD5A2 (0.64) SRD5A2RXRARXRBMAP4K4MAPK1
SCHEMBL444367 0.78 SRD5A2 (0.90) SRD5A2RXRARXRBMAP4K4ADH5
SCHEMBL18587158 0.78 RXRA (0.57) CYP2C8SRD5A2RXRARXRBRXRG
SCHEMBL18587126 0.78 MAP4K4 (0.59) CYP2C8SRD5A2RXRARXRBRXRG

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 6 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 claimed
US-20090170913-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2009-07-02 US claimed
EP-1828177-B1 NOVEL MCH RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-08-13 EP claimed
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
EP-1828177-B1 NOVEL MCH RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-08-13 EP 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 CYP2C8 3796/4885SRD5A2 1228/4885RXRA 510/4885

“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.