SCHEMBL10116291

SCHEMBL10116291

[C-]#[N+]c1ccc(Oc2ncnc(C(C)C)c2C)c(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
LRRK2 Q5S007 1/20 0.31
POLB P06746 1/20 0.30
HTT P42858 1/20 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
SCHEMBL10116293 0.85 TRPA1 (0.39) LRRK2
SCHEMBL10116442 0.85 LMNA (0.37) LMNAMEN1KMT2ALRRK2POLB
SCHEMBL10116777 0.84 LMNA (0.40) LMNAMEN1KMT2ALRRK2POLB
SCHEMBL10116299 0.77 PTGS2 (0.44) LMNALRRK2
SCHEMBL10105805 0.77 KMO (0.37) LMNALRRK2
SCHEMBL10105810 0.76 KMO (0.34) LMNALRRK2
SCHEMBL10116322 0.74 SRC (0.36) LMNA
SCHEMBL10116289 0.73 GPR119 (0.40) LMNAHTT
SCHEMBL10116303 0.72 GPR119 (0.42) LMNA
SCHEMBL10116429 0.72 LMNA (0.34) LMNALRRK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580807-B2 Bicyclic piperidine and piperazine derivatives as GPCR modulators for the treatment of obesity, diabetes and other metabolic disorders MERCK SHARP & DOHME CORP. (US) 2013-11-12 US disclosed
US-20120021976-A1 BICYCLIC PIPERIDINE AND PIPERAZINE DERIVATIVES AS GPCR MODULATORS FOR THE TREATMENT OF OBESITY, DIABETES AND OTHER METABOLIC DISORDERS MERCK SHARP & DOHME LLC 2012-01-26 US 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-20120021976-A1 BICYCLIC PIPERIDINE AND PIPERAZINE DERIVATIVES AS GPCR MODULATORS FOR THE TREATMENT OF OBESITY, DIABETES AND OTHER METABOLIC DISORDERS GPR119, GPR55, GPR4 LMNA 3509/4885MEN1 4566/4885KMT2A 1713/4885

“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.