SCHEMBL3748780

SCHEMBL3748780

CN(C)C1CCN(c2nc3c(C(N)=O)c[c]cc3s2)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.38
MAPT P10636 4/20 0.36
USP2 O75604 1/20 0.36
USP28 Q96RU2 2/20 0.35
MAP4K4 O95819 2/20 0.35
ALK Q9UM73 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 2/20 0.33
CTSL P07711 2/20 0.33
CTSB P07858 2/20 0.33
CTSS P25774 2/20 0.33
PDE5A O76074 1/20 0.33
CTSK P43235 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
NPC1 O15118 1/20 0.32
MITF O75030 1/20 0.32
TP53 P04637 1/20 0.32
NFKB1 P19838 1/20 0.32

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
SCHEMBL3750053 0.76 PARP1 (0.35) MAP4K4HRH3RPS6KB1
SCHEMBL3749097 0.75 PARP1 (0.38)
SCHEMBL3746699 0.72 PARP1 (0.40)
SCHEMBL3756206 0.70 PARP1 (0.36) RPS6KB1
SCHEMBL3750551 0.68 PARP1 (0.34)
SCHEMBL3754819 0.68 PARP1 (0.35)
SCHEMBL3178005 0.68 NPC1 (0.34) IKBKBMAPTHPGDRAB9ANPC1
SCHEMBL3751235 0.68 PARP1 (0.39) HRH3
SCHEMBL5330535 0.67 PARP1 (0.33) RPS6KB1
SCHEMBL23965806 0.67 RAB9A (0.52) MAPTLMNARAB9ANPC1TP53

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 IKBKB 4261/4885MAPT 1507/4885USP2 2980/4885

“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.