SCHEMBL3753843

SCHEMBL3753843

CN1CCC(CN(C)c2nc3cc(NC(=O)c4cccc(Oc5ccccc5)c4)ccc3o2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.48
DGAT1 O75907 3/20 0.46
CYP3A4 P08684 1/20 0.46
SOAT1 P35610 1/20 0.46
TP53 P04637 3/20 0.45
THRB P10828 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
KDM4E B2RXH2 4/20 0.42
PKM P14618 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
RXFP1 Q9HBX9 2/20 0.42
ALDH1A1 P00352 2/20 0.42
POLB P06746 2/20 0.42
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
KDR P35968 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41

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
Hydrochloric Acid SCHEMBL3754000 0.99 MAPT (0.47) MAPTDGAT1CYP3A4SOAT1TP53
SCHEMBL3749079 0.94 MCHR1 (0.45) MAPTDGAT1TP53THRBMEN1
SCHEMBL3746171 0.86 MAPT (0.51) MAPTDGAT1CYP3A4SOAT1TP53
SCHEMBL3748525 0.82 MAPT (0.55) MAPTTP53THRBSMN1; SMN2KDM4E
SCHEMBL5290458 0.81 MAPT (0.52) MAPTTP53THRBSMN1; SMN2KDM4E
SCHEMBL13054213 0.81 MAPT (0.54) MAPTTP53THRBSMN1; SMN2KDM4E
SCHEMBL3748623 0.80 MCHR1 (0.50) MAPTTHRBHDAC6
Hydrochloric Acid SCHEMBL3748146 0.80 MAPT (0.53) MAPTTP53THRBSMN1; SMN2KDM4E
SCHEMBL14100084 0.79 MEN1 (0.54) MAPTTP53THRBSMN1; SMN2KDM4E
SCHEMBL5244477 0.78 MAPT (0.47) MAPTTP53THRBRXFP1POLB

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
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

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 1507/4885DGAT1 4188/4885CYP3A4 2886/4885

“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.