SCHEMBL5248489

SCHEMBL5248489

CN(CCN1CCCC1)c1nc2cc(NC(=O)c3ccc(-c4ccc(F)cc4)cc3)ccc2o1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 9/20 0.55
MCHR1 Q99705 9/20 0.55
MAPT P10636 5/20 0.55
SMN1; SMN2 Q16637 3/20 0.54
TP53 P04637 1/20 0.54
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 2/20 0.50
APEX1 P27695 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CHRNA7 P36544 1/20 0.47
KCNH2 Q12809 1/20 0.47
LMNA P02545 1/20 0.47
RECQL P46063 1/20 0.47
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46
OPRM1 P35372 1/20 0.44

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
SCHEMBL5302709 0.93 ALDH1A1 (0.56) HTR2CMCHR1MAPTSMN1; SMN2TP53
Hydrochloric Acid SCHEMBL5244746 0.93 ALDH1A1 (0.55) HTR2CMCHR1MAPTSMN1; SMN2TP53
SCHEMBL4641261 0.87 KDM4E (0.44) HTR2CMCHR1MAPTSMN1; SMN2TP53
SCHEMBL13054157 0.86 MAPT (0.61) MCHR1MAPTSMN1; SMN2TP53ALDH1A1
SCHEMBL5248381 0.82 MAPT (0.58) MAPTSMN1; SMN2TP53ALDH1A1KDM4E
SCHEMBL5290458 0.82 MAPT (0.52) HTR2CMCHR1MAPTSMN1; SMN2TP53
SCHEMBL4641319 0.81 MAPT (0.42) MAPTSMN1; SMN2TP53ALDH1A1KDM4E
SCHEMBL13054294 0.81 MAPT (0.51) HTR2CMCHR1MAPTSMN1; SMN2TP53
SCHEMBL5244396 0.81 MAPT (0.51) HTR2CMCHR1MAPTSMN1; SMN2TP53
Hydrochloric Acid SCHEMBL5248239 0.80 MAPT (0.50) HTR2CMCHR1MAPTSMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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 HTR2C 185/4885MCHR1 1/4885MAPT 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.