SCHEMBL15940918

SCHEMBL15940918

CN(C)c1nccnc1C1CCNCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.36
HTR2C P28335 4/20 0.33
HRH3 Q9Y5N1 1/20 0.33
SLC18A3 Q16572 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
HTR1A P08908 5/20 0.33
SLC6A2 P23975 5/20 0.33
SLC6A4 P31645 5/20 0.33
SLC6A3 Q01959 3/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33
GABRA1 P14867 2/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
TLR9 Q9NR96 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
CHRM4 P08173 1/20 0.32
RPS6KA3 P51812 1/20 0.32
GABRB2 P47870 1/20 0.32

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
SCHEMBL1304461 0.76 RPS6KA3 (0.40) HTR2CHRH3SLC18A3SIGMAR1HTR1A
SCHEMBL131674 0.75 HTR1A (0.51) HTR2CHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL28076460 0.72 HRH4 (0.41) HTR2CHRH3SLC18A3SIGMAR1HTR1A
SCHEMBL2634085 0.72 HTR1A (0.37) HRH3SLC18A3SIGMAR1HTR1ASLC6A2
SCHEMBL17376064 0.71 HTR1A (0.48) HTR2CHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL17896874 0.69 MAP4K4 (0.50) MAP4K4HTR2CSLC6A2SLC6A4SLC6A3
SCHEMBL27628448 0.68 HTR2C (0.50) HTR2CSLC18A3SIGMAR1HTR1ASLC6A2
SCHEMBL2093409 0.68 HTR1A (0.44) SLC18A3SIGMAR1HTR1ASLC6A2SLC6A4
SCHEMBL3212767 0.68 HTR1A (0.55) HTR2CHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL27547684 0.67 HTR2C (0.37) HTR2CHTR1ASLC6A2SLC6A4GABRA1

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
EP-2953940-B1 PIPERIDIN-1-YL AND AZEPIN-1-YL CARBOXYLATES AS MUSCARINIC M4 RECEPTOR AGONISTS HEPTARES THERAPEUTICS LTD (GB) 2018-08-22 EP disclosed
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
CN-105189482-A Piperidin-1-yl and azepin-1-yl carboxylates as muscarinic M4 receptor agonists TAKEDA PHARMACEUTICAL 2015-12-23 CN disclosed
EP-2953940-A1 PIPERIDIN-1 -YL AND AZEPIN-1 -YL CARBOXYLATES AS MUSCARINIC M4 RECEPTOR AGONISTS Takeda Pharmaceutical Company Limited (JP) 2015-12-16 EP disclosed
WO-2014122474-A1 PIPERIDIN-1 -YL AND AZEPIN-1 -YL CARBOXYLATES AS MUSCARINIC M4 RECEPTOR AGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-08-14 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 (3 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 MAP4K4 1710/4885HTR2C 121/4885HRH3 266/4885
US-20150376179-A1 PIPERIDIN-1 -YL AND AZEPIN-1 -YL CARBOXYLATES AS MUSCARINIC M4 RECEPTOR AGONISTS CHRM1, CHRM2, CHRM4 MAP4K4 1710/4885HTR2C 121/4885HRH3 266/4885
US-20170183338-A1 PIPERIDIN-1 -YL AND AZEPIN-1 -YL CARBOXYLATES AS MUSCARINIC M4 RECEPTOR AGONISTS CHRM1, CHRM2, CHRM4 MAP4K4 1710/4885HTR2C 121/4885HRH3 266/4885

“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.