SCHEMBL3323620

SCHEMBL3323620

CN1CCC(C#N)(c2ccccn2)CC1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.50
ADRA1A P35348 1/20 0.49
KMT2A Q03164 1/20 0.46
PRKCA P17252 1/20 0.44
PTPN2 P17706 1/20 0.44
HTR7 P34969 1/20 0.44
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42

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
SCHEMBL30419444 0.85 HSD11B1 (0.43) OPRM1ADRA1APRKCAPTPN2HTR7
SCHEMBL7157630 0.85 HSD11B1 (0.43) OPRM1ADRA1APRKCAPTPN2HTR7
SCHEMBL16549656 0.84 ADRA1A (0.55) OPRM1ADRA1APRKCAPTPN2HTR7
SCHEMBL1766193 0.84 ADRA1A (0.44) OPRM1ADRA1APRKCAPTPN2HTR7
SCHEMBL6887265 0.84 ADRA1A (0.52) OPRM1ADRA1APRKCAPTPN2HTR7
SCHEMBL626328 0.82 GRIN1 (0.44) OPRM1ADRA1AKMT2APRKCAPTPN2
SCHEMBL31221400 0.82 GRIN1 (0.44) OPRM1ADRA1AKMT2APRKCAPTPN2
SCHEMBL15862755 0.82 GRIN1 (0.47) OPRM1ADRA1AKMT2APRKCAPTPN2
SCHEMBL18711876 0.81 ALDH1A1 (0.53) ADRA1AKMT2APRKCAPTPN2HTR7
SCHEMBL8004598 0.81 ADRA1A (0.53) OPRM1ADRA1APRKCAPTPN2HTR7

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10961225-B2 Bicyclic AZA compounds as muscarinic M1 receptor and/or M4 receptor HEPTARES THERAPEUTICS LIMITED (GB) 2021-03-30 US disclosed
US-20200325118-A1 BICYCLIC AZA COMPOUNDS AS MUSCARINIC M1 RECEPTOR AND/OR M4 RECEPTOR NXERA PHARMA UK LIMITED (GB) 2020-10-15 US disclosed
US-10689368-B2 Bicyclic aza compounds as muscarinic M1 receptor and/or M4 receptor HEPTARES THERAPEUTICS LIMITED (GB) 2020-06-23 US disclosed
US-10385039-B2 Bicyclic aza compounds as muscarnic M1 receptor and/or M4 receptor antagonists HEPTARES THERAPEUTICS LIMITED (GB) 2019-08-20 US disclosed
US-20190112294-A1 BICYCLIC AZA COMPOUNDS AS MUSCARNIC M1 RECEPTOR AND/OR M4 RECEPTOR ANTAGONISTS NXERA PHARMA UK LIMITED (GB) 2019-04-18 US disclosed
US-10196380-B2 Bicyclic aza compounds as muscarinic M1 receptor and/or M4 receptor agonists HEPTARES THERAPEUTICS LIMITED (GB) 2019-02-05 US disclosed
US-20180179184-A1 BICYCLIC AZA COMPOUNDS AS MUSCARINIC M1 RECEPTOR AND/OR M4 RECEPTOR AGONISTS NXERA PHARMA UK LIMITED (GB) 2018-06-28 US disclosed
US-20180179184-A1 BICYCLIC AZA COMPOUNDS AS MUSCARINIC M1 RECEPTOR AND/OR M4 RECEPTOR AGONISTS NXERA PHARMA UK LIMITED (GB) 2018-06-28 US disclosed
EP-3102568-B1 BICYCLIC AZA COMPOUNDS AS MUSCARINIC M1 RECEPTOR AGONISTS. HEPTARES THERAPEUTICS LTD (GB) 2018-06-27 EP disclosed
US-9926297-B2 Bicyclic AZA compounds as muscarinic M1 receptor and/or M4 receptor agonists HEPTARES THERAPEUTICS LIMITED (GB) 2018-03-27 US disclosed
US-8343999-B2 Thiazolyl compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-01 US disclosed
US-20120264761-A1 Aminobenzoquinazolinone M1 Receptor Positive Allosteric Modulators MERCK SHARP & DOHME LLC 2012-10-18 US disclosed
US-20120264761-A1 Aminobenzoquinazolinone M1 Receptor Positive Allosteric Modulators MERCK SHARP & DOHME LLC 2012-10-18 US disclosed
WO-2011084371-A1 AMINOBENZOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2011-07-14 WO disclosed
US-20100120770-A1 THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-05-13 US disclosed
US-20100120770-A1 THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-05-13 US disclosed
CN-101679406-A Thiazolyl compounds useful as kinase inhibitors BRISTOL MYERS SQUIBB CO 2010-03-24 CN disclosed
EP-2132203-A1 THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2009-12-16 EP disclosed
WO-2008124757-A1 THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-16 WO disclosed
WO-2008124757-A1 THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-16 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 (9 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-20200325118-A1 BICYCLIC AZA COMPOUNDS AS MUSCARINIC M1 RECEPTOR AND/OR M4 RECEPTOR CHRM1, CHRM2, CHRM4 OPRM1 85/4885ADRA1A 32/4885KMT2A 643/4885
US-20120264761-A1 Aminobenzoquinazolinone M1 Receptor Positive Allosteric Modulators CHRM1, OPRL1, MTNR1B OPRM1 5/4885ADRA1A 47/4885KMT2A 1189/4885
US-10196380-B2 Bicyclic aza compounds as muscarinic M1 receptor and/or M4 receptor agonists CHRM1, CHRM2, CHRM4 OPRM1 76/4885ADRA1A 31/4885KMT2A 578/4885
US-20190112294-A1 BICYCLIC AZA COMPOUNDS AS MUSCARNIC M1 RECEPTOR AND/OR M4 RECEPTOR ANTAGONISTS CHRM1, CHRM2, CHRM5 OPRM1 38/4885ADRA1A 53/4885KMT2A 692/4885
US-20100120770-A1 THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS TTBK1, ERBB2, TEC OPRM1 4805/4885ADRA1A 3208/4885KMT2A 1431/4885
US-10961225-B2 Bicyclic AZA compounds as muscarinic M1 receptor and/or M4 receptor CHRM1, CHRM2, CHRM4 OPRM1 85/4885ADRA1A 32/4885KMT2A 643/4885
US-10689368-B2 Bicyclic aza compounds as muscarinic M1 receptor and/or M4 receptor CHRM1, CHRM2, CHRM4 OPRM1 85/4885ADRA1A 32/4885KMT2A 643/4885
US-10385039-B2 Bicyclic aza compounds as muscarnic M1 receptor and/or M4 receptor antagonists CHRM1, CHRM2, CHRM5 OPRM1 38/4885ADRA1A 53/4885KMT2A 692/4885
US-20180179184-A1 BICYCLIC AZA COMPOUNDS AS MUSCARINIC M1 RECEPTOR AND/OR M4 RECEPTOR AGONISTS CHRM1, CHRM2, CHRM4 OPRM1 76/4885ADRA1A 31/4885KMT2A 578/4885

“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.