SCHEMBL12074157

SCHEMBL12074157

CC1(C)OB(c2cc(C(=O)N[C@H]3CCOC[C@@H]3O)nc3c2CCCC3)OC1(C)C

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 16/20 0.39
▸ PDE2A O00408 1/20 0.39
▸ PDE11A Q9HCR9 1/20 0.39
▸ ADAM17 P78536 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ GABRA1 P14867 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
SCHEMBL18306688 0.90 ADAM17 (0.34) CHRM1PDE2APDE11AADAM17NPC1
SCHEMBL12072183 0.85 NPC1 (0.41) CHRM1NPC1ALDH1A1HPGDTSHR
SCHEMBL14839936 0.80 CHRM1 (0.43) CHRM1PDE2APDE11AADAM17NPC1
SCHEMBL23698892 0.77 CHRM1 (0.36) CHRM1PDE2APDE11A
SCHEMBL12803106 0.77 CHRM1 (0.42) CHRM1
SCHEMBL14848411 0.74 CHRM1 (0.55) CHRM1PDE2APDE11AADAM17
SCHEMBL23698954 0.72 CHRM1 (0.39) CHRM1
SCHEMBL23712085 0.72 CHRM1 (0.36) CHRM1
SCHEMBL18725422 0.71 CNR1 (0.47) CHRM1PDE2APDE11AGABRA1
SCHEMBL18725418 0.71 CNR1 (0.47) CHRM1PDE2APDE11AGABRA1

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
EP-2582676-B1 TETRAHYDROQUINOLINE AMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2016-12-14 — — EP disclosed
EP-2582676-B1 TETRAHYDROQUINOLINE AMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2016-12-14 — — EP disclosed
US-8815902-B2 Tetrahydroquinoline amide M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2014-08-26 — — US disclosed
US-8815902-B2 Tetrahydroquinoline amide M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2014-08-26 — — US disclosed
US-8815902-B2 Tetrahydroquinoline amide M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2014-08-26 — — US disclosed
US-20130090352-A1 TETRAHYDROQUINOLINE AMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2013-04-11 — — US disclosed
US-20130090352-A1 TETRAHYDROQUINOLINE AMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2013-04-11 — — US disclosed
US-20130090352-A1 TETRAHYDROQUINOLINE AMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2013-04-11 — — US disclosed
WO-2011159554-A1 TETRAHYDROQUINOLINE AMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2011-12-22 — — 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-20130090352-A1 TETRAHYDROQUINOLINE AMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, OPRL1, OPRM1 CHRM1 1/4885PDE2A 1068/4885PDE11A 1701/4885

“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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