SCHEMBL3744261

SCHEMBL3744261

CN1CCC(N(C)c2nc3c(C(N)=O)[c]ccc3o2)CC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.33
HTR3A P46098 2/20 0.33
NMT1 P30419 1/20 0.32
POLB P06746 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
PIK3CD O00329 1/20 0.32
CXCR3 P49682 1/20 0.32
LMNA P02545 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
CYP3A4 P08684 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
MCL1 Q07820 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
PTGDR2 Q9Y5Y4 2/20 0.31
GSK3B P49841 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
SCHEMBL3749081 0.88 PARP1 (0.35) PARP1HTR3APTGDR2PARP2
SCHEMBL18344138 0.87 EGFR (0.33) HTR3APIK3CD
SCHEMBL18344061 0.84 HTR3A (0.31) HTR3A
SCHEMBL4336461 0.83 PARP1 (0.35) PARP1HTR3APARP2
SCHEMBL3748155 0.82 HTR3A (0.33) PARP1HTR3A
SCHEMBL18344037 0.78 L3MBTL3 (0.39) PARP1HTR3ASMN1; SMN2TSHRPIK3CD
SCHEMBL5330395 0.77 PARP1 (0.34) PARP1PARP2
SCHEMBL3749974 0.77 HRH4 (0.38) HTR3ASMN1; SMN2LMNAMCHR1
SCHEMBL3756398 0.76 IRAK4 (0.36) HTR3AMAPK1GSK3BDYRK1A
SCHEMBL3759146 0.76 HRH3 (0.33) KDM4E

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 9 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
EP-1828177-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2007-09-05 EP claimed
WO-2006066173-A2 NOVEL MCH RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2006-06-22 WO 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 4719/4885HTR3A 129/4885NMT1 3497/4885

“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.