SCHEMBL3750053

SCHEMBL3750053

CN1CCC(N(C)c2nc3c(C(N)=O)c[c]cc3s2)C1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 7/20 0.35
PARP2 Q9UGN5 3/20 0.35
EBP Q15125 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
NMT1 P30419 1/20 0.33
PIK3CD O00329 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
MCHR1 Q99705 4/20 0.32
RPS6KB1 P23443 1/20 0.32
MAP4K4 O95819 1/20 0.32
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31
POLR1A O95602 1/20 0.31

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
SCHEMBL3746699 0.94 PARP1 (0.40) PARP1PARP2EBPSIGMAR1
SCHEMBL3749097 0.94 PARP1 (0.38) PARP1PARP2EBPSIGMAR1NMT1
SCHEMBL3756206 0.84 PARP1 (0.36) PARP1PARP2RPS6KB1
SCHEMBL3748780 0.76 IKBKB (0.38) RPS6KB1MAP4K4HRH3
SCHEMBL3750551 0.75 PARP1 (0.34) PARP1PARP2
SCHEMBL3754819 0.75 PARP1 (0.35) PARP1
SCHEMBL5330535 0.75 PARP1 (0.33) PARP1PARP2RPS6KB1
SCHEMBL3751235 0.75 PARP1 (0.39) PARP1PARP2HRH3
SCHEMBL3753729 0.74 LMNA (0.36) PARP1PARP2SIGMAR1HRH3
SCHEMBL3759067 0.73 LMNA (0.38) PARP1SIGMAR1HRH3

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-20090170913-A1 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2009-07-02 US claimed
EP-1828177-B1 NOVEL MCH RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-08-13 EP claimed
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 PARP1 4719/4885PARP2 4864/4885EBP 983/4885

“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.