SCHEMBL3748593

SCHEMBL3748593

CN(CCN1CCOCC1)c1nc2c(C(N)=O)c[c]cc2s1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
EPHX2 P34913 6/20 0.35
NLRP3 Q96P20 1/20 0.34
PARP1 P09874 2/20 0.34
CASR P41180 1/20 0.34
PARP2 Q9UGN5 1/20 0.34

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
SCHEMBL3753729 0.91 LMNA (0.36) RAB9ANPC1PARP1PARP2
SCHEMBL3759067 0.90 LMNA (0.38) RAB9ANPC1EPHX2PARP1
SCHEMBL3752317 0.81 HTR2C (0.39) MEN1KMT2A
SCHEMBL3744443 0.78 THRB (0.35) MEN1KMT2APARP1
SCHEMBL3756206 0.76 PARP1 (0.36) PARP1PARP2
SCHEMBL3750551 0.74 PARP1 (0.34) PARP1PARP2
SCHEMBL3750058 0.73 PARP14 (0.34) PARP1
SCHEMBL3754819 0.72 PARP1 (0.35) PARP1
SCHEMBL3750053 0.71 PARP1 (0.35) PARP1PARP2
SCHEMBL3751235 0.71 PARP1 (0.39) PARP1PARP2

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 RAB9A 1154/4885NPC1 689/4885MEN1 550/4885

“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.