SCHEMBL3754819

SCHEMBL3754819

CC(=O)N1CCC(CN(C)c2nc3c(C(N)=O)c[c]cc3s2)C1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.35
NR1D1 P20393 1/20 0.33
JAK3 P52333 2/20 0.33
JAK2 O60674 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.32
TBK1 Q9UHD2 1/20 0.31
JAK1 P23458 1/20 0.31
SYK P43405 1/20 0.31
BRD4 O60885 1/20 0.30
GRIN2B Q13224 1/20 0.30
CHEK2 O96017 2/20 0.30

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
SCHEMBL3756206 0.89 PARP1 (0.36) PARP1IRAK4
SCHEMBL3750551 0.87 PARP1 (0.34) PARP1JAK1
SCHEMBL3751235 0.86 PARP1 (0.39) PARP1JAK2JAK1
SCHEMBL3749075 0.80 PARP1 (0.34) PARP1IRAK4
SCHEMBL3746699 0.76 PARP1 (0.40) PARP1IRAK4
SCHEMBL3753729 0.74 LMNA (0.36) PARP1
SCHEMBL3754820 0.74 RAB9A (0.39) NR1D1BRD4CHEK2
SCHEMBL3749097 0.73 PARP1 (0.38) PARP1
SCHEMBL3744443 0.71 THRB (0.35) PARP1IRAK4
SCHEMBL3750058 0.69 PARP14 (0.34) PARP1

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 3 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

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 4719/4885NR1D1 249/4885JAK3 579/4885

“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.