SCHEMBL10094709

SCHEMBL10094709

Cc1cccnc1-c1cnn(C)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.54
CNR2 P34972 1/20 0.49
MAPT P10636 1/20 0.45
AXL P30530 6/20 0.43
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
TTK P33981 1/20 0.43
PIM1 P11309 3/20 0.43
METAP2 P50579 1/20 0.42
DYRK1A Q13627 1/20 0.42
EGLN1 Q9GZT9 1/20 0.42
PIM3 Q86V86 1/20 0.42
PIM2 Q9P1W9 1/20 0.42
TYRO3 Q06418 1/20 0.42
MERTK Q12866 1/20 0.42
KEAP1 Q14145 1/20 0.41

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
SCHEMBL31276400 0.81 PIM1 (0.47) MAPTAXLCDK2PIM1DYRK1A
SCHEMBL31276671 0.81 CNR2 (0.48) CNR2MAPTAXLCDK2PIM1
SCHEMBL15674493 0.79 MAP4K1 (0.49) MAPTAXLCCNA2CDK2TTK
SCHEMBL10094466 0.79 MAPT (0.42) MAPTAXLPIM1DYRK1APIM3
SCHEMBL15730768 0.76 MTOR (0.47) MAPTPIM1DYRK1AKEAP1
SCHEMBL16701134 0.76 AXL (0.42) AXLCCNA2CDK2TTKPIM1
SCHEMBL30108210 0.75 SYK (0.54)
SCHEMBL10094718 0.75 CYP2A6 (0.46) CYP2A6CNR2PIM1
SCHEMBL28692736 0.75 SYK (0.54)
SCHEMBL10094636 0.74 L3MBTL1 (0.59) CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10030012-B2 Piperidin-1-yl and azepin-1-yl carboxylates as muscarinic M4 receptor agonists HEPTARES THERAPEUTICS LIMITED (GB) 2018-07-24 US disclosed
US-20170183338-A1 PIPERIDIN-1 -YL AND AZEPIN-1 -YL CARBOXYLATES AS MUSCARINIC M4 RECEPTOR AGONISTS NXERA PHARMA UK LIMITED (GB) 2017-06-29 US disclosed
US-9593106-B2 Piperidin-1-yl and azepin-1-yl carboxylates as muscarinic M4 receptor agonists HEPTARES THERAPEUTICS LIMITED (GB) 2017-03-14 US disclosed
US-20150376179-A1 PIPERIDIN-1 -YL AND AZEPIN-1 -YL CARBOXYLATES AS MUSCARINIC M4 RECEPTOR AGONISTS NXERA PHARMA UK LIMITED (GB) 2015-12-31 US disclosed
US-8980889-B2 Pyrazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-03-17 US disclosed
US-8980888-B2 Pyrazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-03-17 US disclosed
US-8148535-B2 Potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2012-04-03 US disclosed
US-20090233897-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-09-17 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 (4 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-10030012-B2 Piperidin-1-yl and azepin-1-yl carboxylates as muscarinic M4 receptor agonists CHRM1, CHRM2, CHRM4 CYP2A6 1184/4885CNR2 61/4885MAPT 873/4885
US-20150376179-A1 PIPERIDIN-1 -YL AND AZEPIN-1 -YL CARBOXYLATES AS MUSCARINIC M4 RECEPTOR AGONISTS CHRM1, CHRM2, CHRM4 CYP2A6 1184/4885CNR2 61/4885MAPT 873/4885
US-20170183338-A1 PIPERIDIN-1 -YL AND AZEPIN-1 -YL CARBOXYLATES AS MUSCARINIC M4 RECEPTOR AGONISTS CHRM1, CHRM2, CHRM4 CYP2A6 1184/4885CNR2 61/4885MAPT 873/4885
US-20090233897-A1 Potassium Channel Inhibitors KCNJ2, KCNQ2, KCNH2 CYP2A6 2573/4885CNR2 2350/4885MAPT 2696/4885

“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.