Sugi Predict

Sugi Predict / Compounds / SCHEMBL13054099

SCHEMBL13054099

SCHEMBL13054099

CN(C)[C@@H]1CCN(c2nc3ccc(NC(=O)c4cc(-c5ccccc5)on4)cc3s2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 3/20 0.47
▸ FAAH O00519 1/20 0.44
▸ CSF1R P07333 1/20 0.43
▸ MAPT P10636 4/20 0.42
▸ LMNA P02545 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ TP53 P04637 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ RAB9A P51151 6/20 0.41
▸ NPC1 O15118 5/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ SENP8 Q96LD8 1/20 0.41
▸ SENP7 Q9BQF6 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
SCHEMBL13054098 0.86 MCHR1 (0.65) MCHR1MAPTLMNASMN1; SMN2TP53
SCHEMBL12531062 0.83 MCHR1 (0.67) MCHR1CSF1R
SCHEMBL13054119 0.83 MCHR1 (0.44) MCHR1MAPTSMN1; SMN2TP53RAB9A
SCHEMBL13054117 0.81 MCHR1 (0.48) MCHR1MAPTLMNASMN1; SMN2HSD17B10
SCHEMBL3750062 0.79 MAPT (0.47) MCHR1MAPTSMN1; SMN2TP53RAB9A
SCHEMBL13054106 0.79 MAPT (0.47) MCHR1MAPTSMN1; SMN2TP53RAB9A
SCHEMBL3750065 0.79 MAPT (0.47) MCHR1MAPTSMN1; SMN2TP53RAB9A
SCHEMBL13054078 0.79 MCHR1 (0.54) MCHR1MAPTSMN1; SMN2TP53RAB9A
SCHEMBL13054115 0.78 MCHR1 (0.46) MCHR1MAPTLMNASMN1; SMN2HSD17B10
SCHEMBL3754706 0.78 MCHR1 (0.46) MCHR1MAPTLMNASMN1; SMN2HSD17B10

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 MCHR1 1/4885FAAH 1373/4885CSF1R 159/4885

“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.