SCHEMBL13054083

SCHEMBL13054083

CN(C)[C@@H]1CCN(c2nc3cc(NC(=O)c4ccc(-c5ccc(F)cc5)cc4)ccc3o2)C1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.55
MCHR1 Q99705 10/20 0.54
SMN1; SMN2 Q16637 2/20 0.51
TP53 P04637 2/20 0.51
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
APEX1 P27695 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
THRB P10828 1/20 0.44
HTR1A P08908 1/20 0.44
HTR1F P30939 1/20 0.44
HTR2C P28335 1/20 0.43
LMNA P02545 1/20 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
SCHEMBL13054136 0.86 HPSE (0.48) MAPTMCHR1
SCHEMBL14099929 0.83 MAPT (0.65) MAPTMCHR1SMN1; SMN2TP53KDM4E
SCHEMBL3746088 0.83 CA12 (0.48) MAPTMCHR1
SCHEMBL3746093 0.83 CA12 (0.48) MAPTMCHR1
SCHEMBL13054086 0.83 CA12 (0.48) MAPTMCHR1
SCHEMBL5251678 0.80 MAPT (0.56) MAPTMCHR1SMN1; SMN2TP53KDM4E
SCHEMBL12529230 0.79 MCHR1 (0.82) MCHR1SMN1; SMN2TP53
SCHEMBL13054078 0.79 MCHR1 (0.54) MAPTMCHR1SMN1; SMN2TP53THRB
Hydrochloric Acid SCHEMBL5246485 0.79 MAPT (0.55) MAPTMCHR1SMN1; SMN2TP53KDM4E
SCHEMBL1749065 0.78 MCHR1 (0.63) MAPTMCHR1SMN1; SMN2

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 4 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-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

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 1507/4885MCHR1 1/4885SMN1; 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.