SCHEMBL3753729

SCHEMBL3753729

CN(CCN1CCCC1)c1nc2c(C(N)=O)c[c]cc2s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
PARP1 P09874 9/20 0.34
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
RAB9A P51151 3/20 0.33
SIGMAR1 Q99720 2/20 0.33
NPC1 O15118 2/20 0.32
PIM1 P11309 1/20 0.32
FLT3 P36888 1/20 0.32
PIM3 Q86V86 1/20 0.32
BRSK1 Q8TDC3 1/20 0.32
AURKB Q96GD4 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32
TSHR P16473 1/20 0.32
DHODH Q02127 1/20 0.32
ACHE P22303 1/20 0.32
P2RX7 Q99572 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31
PARP2 Q9UGN5 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
SCHEMBL3759067 0.99 LMNA (0.38) LMNAMAPK1PARP1ESR1ESR2
SCHEMBL3748593 0.91 RAB9A (0.42) PARP1RAB9ANPC1PARP2
SCHEMBL3752317 0.83 HTR2C (0.39) LMNAMAPK1
SCHEMBL3744443 0.80 THRB (0.35) LMNAMAPK1PARP1PIM1FLT3
SCHEMBL3756206 0.78 PARP1 (0.36) PARP1PARP2
SCHEMBL3750551 0.76 PARP1 (0.34) PARP1PARP2
SCHEMBL3750058 0.76 PARP14 (0.34) PARP1
SCHEMBL3749097 0.75 PARP1 (0.38) PARP1SIGMAR1PARP2
SCHEMBL3746699 0.74 PARP1 (0.40) PARP1SIGMAR1PARP2
SCHEMBL3754819 0.74 PARP1 (0.35) 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 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 LMNA 3624/4885MAPK1 840/4885PARP1 4719/4885

“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.