SCHEMBL5290458

SCHEMBL5290458

CN1CCC(CN(C)c2nc3cc(NC(=O)c4ccc(-c5ccc(F)cc5)cc4)ccc3o2)C1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
TP53 P04637 1/20 0.51
HTR1F P30939 8/20 0.48
HTR1A P08908 6/20 0.48
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
APEX1 P27695 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
MCHR1 Q99705 3/20 0.47
HTR1B P28222 4/20 0.46
HTR1D P28221 4/20 0.46
HTR2C P28335 2/20 0.44
LMNA P02545 1/20 0.43
RECQL P46063 1/20 0.43
THRB P10828 1/20 0.42

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
SCHEMBL3748607 0.92 MCHR1 (0.49) MAPTSMN1; SMN2TP53HTR1FHTR1A
SCHEMBL13054294 0.89 MAPT (0.51) MAPTSMN1; SMN2TP53HTR1FHTR1A
SCHEMBL5244396 0.89 MAPT (0.51) MAPTSMN1; SMN2TP53HTR1FHTR1A
Hydrochloric Acid SCHEMBL5248239 0.88 MAPT (0.50) MAPTSMN1; SMN2TP53HTR1FHTR1A
SCHEMBL4643537 0.88 MAPT (0.42) MAPTSMN1; SMN2TP53ALDH1A1KDM4E
SCHEMBL5244477 0.87 MAPT (0.47) MAPTTP53MCHR1THRB
SCHEMBL3748623 0.86 MCHR1 (0.50) MAPTHTR1FHTR1AMCHR1THRB
SCHEMBL3749079 0.85 MCHR1 (0.45) MAPTTP53MCHR1THRB
SCHEMBL13054177 0.85 MAPT (0.52) MAPTSMN1; SMN2TP53HTR1FHTR1A
SCHEMBL5251678 0.85 MAPT (0.56) MAPTSMN1; SMN2TP53HTR1FHTR1A

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
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
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 1507/4885SMN1; SMN2 2294/4885TP53 4472/4885

“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.