SCHEMBL5248381

SCHEMBL5248381

CCN(CC)CCCN(C)c1nc2cc(NC(=O)c3ccc(-c4ccc(F)cc4)cc3)ccc2o1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 17/20 0.58
TP53 P04637 4/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
KDM4E B2RXH2 4/20 0.52
ALDH1A1 P00352 4/20 0.52
APEX1 P27695 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
POLB P06746 3/20 0.48
THRB P10828 3/20 0.46
RXFP1 Q9HBX9 2/20 0.46
HPGD P15428 3/20 0.46
HSD17B10 Q99714 3/20 0.46
LMNA P02545 1/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 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
SCHEMBL13054157 0.88 MAPT (0.61) MAPTTP53SMN1; SMN2KDM4EALDH1A1
SCHEMBL4644600 0.87 MAPT (0.45) MAPTTP53SMN1; SMN2KDM4EALDH1A1
SCHEMBL14100023 0.83 HDAC6 (0.43) MAPTTP53SMN1; SMN2KDM4EALDH1A1
SCHEMBL5248489 0.82 HTR2C (0.55) MAPTTP53SMN1; SMN2KDM4EALDH1A1
Hydrochloric Acid SCHEMBL3743909 0.82 HDAC6 (0.42) MAPTTP53SMN1; SMN2KDM4EALDH1A1
SCHEMBL5302709 0.81 ALDH1A1 (0.56) MAPTTP53SMN1; SMN2KDM4EALDH1A1
Hydrochloric Acid SCHEMBL5244746 0.80 ALDH1A1 (0.55) MAPTTP53SMN1; SMN2KDM4EALDH1A1
SCHEMBL5247226 0.79 MCHR1 (0.61) MAPTTP53SMN1; SMN2KDM4EALDH1A1
SCHEMBL14100084 0.79 MEN1 (0.54) MAPTTP53SMN1; SMN2KDM4EALDH1A1
SCHEMBL13054289 0.79 MAPT (0.59) MAPTTP53SMN1; SMN2KDM4EALDH1A1

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 8 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-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 MAPT 1507/4885TP53 4472/4885SMN1; SMN2 2294/4885

“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.