SCHEMBL13858030

SCHEMBL13858030

CC(C)(C)OC(=O)N1CCC(F)(c2cc(Cl)ccn2)CC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ JAK2 O60674 11/20 0.46
▸ JAK1 P23458 11/20 0.46
▸ OPRD1 P41143 1/20 0.43
▸ OPRK1 P41145 1/20 0.43
▸ SYK P43405 1/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ CYP3A5 P20815 2/20 0.43
▸ EIF2AK4 Q9P2K8 1/20 0.42

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
SCHEMBL13858221 0.87 POLB (0.47) POLBMEN1KMT2AJAK2JAK1
SCHEMBL2224318 0.82 GPR119 (0.53) POLBJAK2JAK1OPRD1OPRK1
SCHEMBL20744340 0.81 JAK2 (0.48) POLBMEN1KMT2AJAK2JAK1
SCHEMBL11963131 0.79 STS (0.49) POLBMEN1KMT2AJAK2JAK1
SCHEMBL2588263 0.78 MEN1 (0.55) POLBMEN1KMT2AOPRD1OPRK1
SCHEMBL12175568 0.78 POLB (0.41) POLBMEN1KMT2AJAK2JAK1
SCHEMBL28405975 0.77 RORC (0.42) POLBJAK2JAK1
SCHEMBL12178960 0.77 TRPV1 (0.57) POLBMEN1KMT2AOPRD1OPRK1
SCHEMBL4294944 0.77 TRPV1 (0.42) POLBMEN1KMT2AJAK2JAK1
SCHEMBL5473436 0.76 GPR119 (0.52) POLBJAK2JAK1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2709621-B1 N-LINKED QUINOLINEAMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2016-11-02 — — EP disclosed
EP-2709621-B1 N-LINKED QUINOLINEAMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2016-11-02 — — EP disclosed
US-8940765-B2 N-linked quinolineamide M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2015-01-27 — — US disclosed
US-8940765-B2 N-linked quinolineamide M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2015-01-27 — — US disclosed
US-8940765-B2 N-linked quinolineamide M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2015-01-27 — — US disclosed
US-20140200222-A1 N-LINKED QUINOLINEAMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2014-07-17 — — US disclosed
US-20140200222-A1 N-LINKED QUINOLINEAMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2014-07-17 — — US disclosed
EP-2709621-A1 N-LINKED QUINOLINEAMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS Merck Sharp & Dohme Corp. (US) 2014-03-26 — — EP disclosed
WO-2012158474-A1 N-LINKED QUINOLINEAMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2012-11-22 — — WO disclosed
WO-2012158474-A1 N-LINKED QUINOLINEAMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2012-11-22 — — 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-20140200222-A1 N-LINKED QUINOLINEAMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, OPRL1, CHRM2 POLB 3163/4885MEN1 3053/4885KMT2A 779/4885

“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.

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