SCHEMBL1425947

SCHEMBL1425947

Cc1ccn(C2CCNCC2)n1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
GABRA1 P14867 3/20 0.39
GABRB2 P47870 3/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
ALOX15 P16050 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NSD3 Q9BZ95 1/20 0.38
HTR2C P28335 4/20 0.38
TLR8 Q9NR97 8/20 0.38
TLR7 Q9NYK1 4/20 0.38
TLR9 Q9NR96 3/20 0.38
TLR4 O00206 2/20 0.38
PIM1 P11309 1/20 0.37
PLAUR Q03405 1/20 0.35

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
SCHEMBL15034177 0.86
SCHEMBL16969326 0.82 SIGMAR1 (0.36) ALDH1A1MAPT
SCHEMBL10049903 0.82 SIGMAR1 (0.39) ALDH1A1MAPTALOX15TDP1
SCHEMBL27367010 0.82 CACNA2D1 (0.38) TLR8TLR7TLR9
SCHEMBL15297033 0.81 HTR2A (0.37) ALDH1A1MAPTHTR2C
SCHEMBL10049902 0.81 SIGMAR1 (0.41) MEN1ALDH1A1MAPTALOX15KMT2A
SCHEMBL23418737 0.80 TLR8 (0.41) HTR2CTLR8PIM1
SCHEMBL15448695 0.79 TP53 (0.33) MEN1ALDH1A1MAPTPKMKMT2A
SCHEMBL26157220 0.79 TP53 (0.33) MEN1ALDH1A1MAPTPKMKMT2A
SCHEMBL12413742 0.79 MEN1 (0.40) CHRNB2CHRNA4GABRA1GABRB2MEN1

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 29 patents — showing the first 20. 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-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-9828373-B2 2-amino-pyrido[2,3-D]pyrimidin-7(8H)-one derivatives as CDK inhibitors and uses thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-11-28 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-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-20170121323-A1 2-AMINO-PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE DERIVATIVES AS CDK INHIBITORS AND USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-05-04 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-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-9403798-B2 Triazinone compound and T-type calcium channel inhibitor NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-08-02 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-20110136789-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-09 US disclosed
US-20110136789-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-09 US disclosed
US-20110136789-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-09 US disclosed
EP-2205589-B1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMA (US) 2011-03-23 EP disclosed
EP-2205589-B1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMA (US) 2011-03-23 EP disclosed
WO-2010115491-A2 PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS MERCK PATENT GMBH (DE) 2010-10-14 WO disclosed
EP-2205589-A2 C-MET PROTEIN KINASE INHIBITORS Vertex Pharmaceuticals Incorporated (US) 2010-07-14 EP disclosed
WO-2009153589-A1 PYRIDINE COMPOUNDS ASTRAZENECA AB (SE) 2009-12-23 WO disclosed
WO-2009045992-A2 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-04-09 WO disclosed
WO-2009045992-A2 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-04-09 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 (5 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-20110136789-A1 C-MET PROTEIN KINASE INHIBITORS MET, PRKCH, ABL1 CHRNB2 4773/4885CHRNA4 4864/4885GABRA1 3628/4885
US-10030012-B2 Piperidin-1-yl and azepin-1-yl carboxylates as muscarinic M4 receptor agonists CHRM1, CHRM2, CHRM4 CHRNB2 24/4885CHRNA4 9/4885GABRA1 308/4885
US-20170121323-A1 2-AMINO-PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE DERIVATIVES AS CDK INHIBITORS AND USES THEREOF CDK6, CDK4, CDK7 CHRNB2 4809/4885CHRNA4 4572/4885GABRA1 4665/4885
US-20150376179-A1 PIPERIDIN-1 -YL AND AZEPIN-1 -YL CARBOXYLATES AS MUSCARINIC M4 RECEPTOR AGONISTS CHRM1, CHRM2, CHRM4 CHRNB2 24/4885CHRNA4 9/4885GABRA1 308/4885
US-20170183338-A1 PIPERIDIN-1 -YL AND AZEPIN-1 -YL CARBOXYLATES AS MUSCARINIC M4 RECEPTOR AGONISTS CHRM1, CHRM2, CHRM4 CHRNB2 24/4885CHRNA4 9/4885GABRA1 308/4885

“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.