SCHEMBL13858075

SCHEMBL13858075

CN1CCCc2c(Br)cc(C(=O)O)c(N)c21

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.39
▸ TSHR P16473 3/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ TNKS O95271 2/20 0.34
▸ PARP1 P09874 2/20 0.34
▸ TNKS2 Q9H2K2 2/20 0.34
▸ SLC16A3 O15427 1/20 0.34
▸ HSD17B10 Q99714 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ IP6K1 Q92551 1/20 0.33
▸ MYC P01106 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ GLA P06280 1/20 0.31
▸ RAD52 P43351 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
SCHEMBL13857982 0.85 ACHE (0.38) KDM4ETSHRLMNAMEN1KMT2A
SCHEMBL13976220 0.77 TDO2 (0.41) MEN1KMT2A
SCHEMBL19330645 0.76 KDM4E (0.42) KDM4EMEN1KMT2AHSD17B10GAA
SCHEMBL6975536 0.69 HAAO (0.38) MEN1KMT2ATNKSPARP1TNKS2
SCHEMBL22939176 0.68 TTR (0.42) KDM4EMEN1KMT2AGAAALDH1A1
SCHEMBL6644861 0.67 TSHR (0.40) TSHRLMNAMEN1KMT2ATNKS
SCHEMBL14236172 0.65 SMN1; SMN2 (0.40) KDM4ETSHRMEN1KMT2AHSD17B10
SCHEMBL29723114 0.65 SMN1; SMN2 (0.40) TSHRMEN1KMT2ASLC16A3HSD17B10
SCHEMBL14128389 0.65 SMN1; SMN2 (0.40) TSHRMEN1KMT2ASLC16A3HSD17B10
SCHEMBL13917234 0.63 KDM4E (0.50) KDM4ETSHRMEN1KMT2AHSD17B10

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-2709624-B1 N-METHYL TETRAHYDROQUINOLINE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2016-04-27 — — EP disclosed
EP-2709624-B1 N-METHYL TETRAHYDROQUINOLINE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2016-04-27 — — EP disclosed
US-9284312-B2 N-methyl tetrahydroquinoline M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2016-03-15 — — US disclosed
US-9284312-B2 N-methyl tetrahydroquinoline M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2016-03-15 — — US disclosed
US-20150141444-A1 N-METHYL TETRAHYDROQUINOLINE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. 2015-05-21 — — US disclosed
US-20150141444-A1 N-METHYL TETRAHYDROQUINOLINE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. 2015-05-21 — — US disclosed
US-20150141444-A1 N-METHYL TETRAHYDROQUINOLINE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. 2015-05-21 — — US disclosed
EP-2709624-A1 N-METHYL TETRAHYDROQUINOLINE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS Merck Sharp & Dohme Corp. (US) 2014-03-26 — — EP disclosed
WO-2012158473-A1 N-METHYL TETRAHYDROQUINOLINE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2012-11-22 — — WO disclosed
WO-2012158473-A1 N-METHYL TETRAHYDROQUINOLINE 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-20150141444-A1 N-METHYL TETRAHYDROQUINOLINE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, OPRL1, OPRM1 KDM4E 1001/4885TSHR 448/4885LMNA 4023/4885

“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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