SCHEMBL3748639

SCHEMBL3748639

CN(CC1CCN(C(=O)OC(C)(C)C)C1)c1nc2ccc(N)cc2s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1D1 P20393 1/20 0.43
CHEK2 O96017 5/20 0.40
PIK3CA P42336 1/20 0.40
TGFBR1 P36897 1/20 0.39
USP30 Q70CQ3 1/20 0.39
NR1H2 P55055 1/20 0.39
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GPR119 Q8TDV5 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
GFER P55789 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
BACE1 P56817 2/20 0.38
CTSD P07339 1/20 0.38
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37

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
SCHEMBL13054181 0.88 NR1D1 (0.48) NR1D1L3MBTL1MEN1NPC1RAB9A
SCHEMBL3754820 0.87 RAB9A (0.39) NR1D1CHEK2PIK3CAMEN1NPC1
SCHEMBL3744423 0.80 MCHR1 (0.45) USP30BACE1
Hydrochloric Acid SCHEMBL3753824 0.80 SMN1; SMN2 (0.40) MEN1NPC1RAB9AGFERKMT2A
SCHEMBL3751066 0.78 NR1D1 (0.46) NR1D1L3MBTL1GPR119MEN1NPC1
SCHEMBL3751063 0.75 NR1D1 (0.48) NR1D1L3MBTL1MEN1NPC1RAB9A
SCHEMBL21638265 0.72 MAPT (0.46) MEN1NPC1RAB9AGFERKMT2A
SCHEMBL24814052 0.72 MAOB (0.44) CHEK2PIK3CAL3MBTL1GPR119
SCHEMBL31349441 0.72 RAB9A (0.55) PIK3CAGPR119MEN1NPC1RAB9A
SCHEMBL7808872 0.71 NR1H2 (0.44) TGFBR1USP30NR1H2IDO1TDO2

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 NR1D1 249/4885CHEK2 4373/4885PIK3CA 4798/4885

“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.