SCHEMBL3753848

SCHEMBL3753848

CC(C1CCNC1)N(C)c1nc2cc(NC(=O)c3cccc(Oc4ccccc4)c3)ccc2o1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.53
TP53 P04637 4/20 0.46
THRB P10828 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
RXFP1 Q9HBX9 2/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 2/20 0.41
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MCHR1 Q99705 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 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 SCHEMBL3754012 0.99 MAPT (0.52) MAPTTP53THRBSMN1; SMN2RXFP1
SCHEMBL3749086 0.94 MAPT (0.46) MAPTTP53THRBSMN1; SMN2RXFP1
Hydrochloric Acid SCHEMBL5326025 0.83 MAPT (0.51) MAPTTP53THRBSMN1; SMN2RXFP1
SCHEMBL5246428 0.82 MAPT (0.52) MAPTTP53THRBSMN1; SMN2KDM4E
SCHEMBL3748630 0.81 HDAC3 (0.42)
SCHEMBL3746171 0.78 MAPT (0.51) MAPTTP53THRBSMN1; SMN2RXFP1
SCHEMBL3748525 0.78 MAPT (0.55) MAPTTP53THRBSMN1; SMN2RXFP1
SCHEMBL3748613 0.77 MCHR1 (0.55) MAPTTP53SMN1; SMN2KDM4EALDH1A1
SCHEMBL5296164 0.77 MAPT (0.46) MAPTTP53THRBSMN1; SMN2RXFP1
SCHEMBL13054213 0.76 MAPT (0.54) MAPTTP53THRBSMN1; SMN2RXFP1

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 5 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-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 1507/4885TP53 4472/4885THRB 105/4885

“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.