SCHEMBL3750082

SCHEMBL3750082

CN1CCC(N(C)c2nc3cc(NC(=O)c4ccc(-c5ccc(F)cc5)nc4)ccc3o2)CC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 8/20 0.51
HTR2C P28335 2/20 0.51
MAPT P10636 3/20 0.49
HTR1F P30939 6/20 0.47
HTR1A P08908 4/20 0.47
HTR1B P28222 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 1/20 0.46
PTPN1 P18031 1/20 0.46
PTPN6 P29350 1/20 0.46
PTPN11 Q06124 1/20 0.46
WNT3A P56704 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
APEX1 P27695 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HDAC10 Q969S8 1/20 0.43
HTR1D P28221 2/20 0.43

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
SCHEMBL5251678 0.92 MAPT (0.56) MCHR1MAPTHTR1FHTR1AHTR1B
Hydrochloric Acid SCHEMBL5246485 0.91 MAPT (0.55) MCHR1MAPTHTR1FHTR1AHTR1B
SCHEMBL5246118 0.90 MCHR1 (0.50) MCHR1HTR2CMAPTHTR1FHTR1A
SCHEMBL3748607 0.87 MCHR1 (0.49) MCHR1HTR2CMAPTHTR1FHTR1A
SCHEMBL13054171 0.86 MAPT (0.49) MAPTHTR1FHTR1AHTR1BSMN1; SMN2
SCHEMBL5244647 0.85 MAPT (0.54) MAPTHTR1FHTR1AHTR1BSMN1; SMN2
SCHEMBL4642954 0.85 PTGDR2 (0.39) MCHR1MAPTHTR1FHTR1AHTR1B
SCHEMBL5248620 0.84 MAPT (0.48) MCHR1MAPTSMN1; SMN2TP53KDM4E
SCHEMBL5247593 0.82 ESRRG (0.44) MCHR1MAPTHTR1FHTR1ASMN1; SMN2
SCHEMBL3760872 0.82 NPC1 (0.49) MAPTSMN1; SMN2KDM4EALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-101072775-A Novel mch receptor antagonists LILLY CO ELI (US) 2007-11-14 CN claimed
EP-1828177-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2007-09-05 EP claimed
WO-2006066173-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2006-06-22 WO 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-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
CN-101072775-A Novel mch receptor antagonists LILLY CO ELI (US) 2007-11-14 CN 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 MCHR1 1/4885HTR2C 185/4885MAPT 1507/4885

“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.