SCHEMBL10312579

SCHEMBL10312579

CN(CCCN)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.42
TDP1 Q9NUW8 1/20 0.36
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NFKB1 P19838 1/20 0.32
CA12 O43570 2/20 0.30
CA1 P00915 2/20 0.30
CA2 P00918 2/20 0.30
CA3 P07451 2/20 0.30
CA4 P22748 2/20 0.30
CA6 P23280 2/20 0.30
CA5A P35218 2/20 0.30
CA7 P43166 2/20 0.30
CA9 Q16790 2/20 0.30
CA14 Q9ULX7 2/20 0.30
CA5B Q9Y2D0 2/20 0.30
DNM1 Q05193 1/20 0.30
LMNA P02545 1/20 0.30
TSHR P16473 1/20 0.30
BLM P54132 1/20 0.30

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
SCHEMBL23761859 0.92 CHRM2 (0.52) CHRM2TDP1CYP2C9CYP2C19NFKB1
SCHEMBL24515163 0.91 CHRM2 (0.52) CHRM2TDP1
SCHEMBL23761801 0.90 CHRM2 (0.56) CHRM2NFKB1CA12CA1CA2
SCHEMBL22752564 0.90 CHRM2 (0.56) CHRM2NFKB1CA12CA1CA2
SCHEMBL1106445 0.82
SCHEMBL25928873 0.82 ALDH1A1 (0.32) TSHR
SCHEMBL12619778 0.82 ALDH1A1 (0.39) CHRM2DNM1TSHR
SCHEMBL20063347 0.78
SCHEMBL10805583 0.77 CHRM2 (0.37) CHRM2TDP1CYP2C9CYP2C19
SCHEMBL17493160 0.77 CHRM2 (0.37) CHRM2TDP1CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3475285-B1 MECHANISTIC TARGET OF RAPAMYCIN SIGNALING PATHWAY INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF SUZHOU KINTOR PHARMACEUTICALS INC (CN) 2022-02-09 EP disclosed
US-11130737-B2 Multifunctional aminoquinoline therapeutic agents LOHOCLA RESEARCH CORPORATION (US) 2021-09-28 US disclosed
US-20210276956-A1 QUINOLINE-BASED COMPOUNDS AND METHODS OF INHIBITING CDK8/19 UNIVERSITY OF SOUTH CAROLINA (US) 2021-09-09 US disclosed
US-20210253535-A1 INHIBITION OF OLIG2 ACTIVITY Curtana Pharmaceuticals, Inc. 2021-08-19 US disclosed
US-10391088-B2 Analgesic compositions LOHOCLA RESEARCH CORPORATION (US) 2019-08-27 US disclosed
US-20190099412-A1 ANALGESIC COMPOSITIONS LOHOCLA RESEARCH CORPORATION 2019-04-04 US disclosed
US-20190076539-A1 AMINE-LINKED C3-GLUTARIMIDE DEGRONIMERS FOR TARGET PROTEIN DEGRADATION C4 Theraprutics, Inc. (US) 2019-03-14 US disclosed
US-9951014-B2 Mammalian and bacterial nitric oxide synthase inhibitors NORTHWESTERN UNIVERSITY (US) 2018-04-24 US disclosed
US-9951014-B2 Mammalian and bacterial nitric oxide synthase inhibitors NORTHWESTERN UNIVERSITY (US) 2018-04-24 US disclosed
US-20170275278-A1 Mammalian and Bacterial Nitric Oxide Synthase Inhibitors NORTHWESTERN UNIVERSITY (US) 2017-09-28 US disclosed
US-20170204064-A1 MULTIFUNCTIONAL AMINOQUINOLINE THERAPEUTIC AGENTS LOHOCLA RESEARCH CORPORATION 2017-07-20 US disclosed
US-20160122302-A1 Mammalian and Bacterial Nitric Oxide Synthase Inhibitors NORTHWESTERN UNIVERSITY 2016-05-05 US disclosed
US-20160009733-A1 REGULATION OF NITRIC OXIDE RELEASE AND BIOFILM DEVELOPMENT UNIVERSITY OF WOLLONGONG (AU) 2016-01-14 US disclosed
US-9156855-B2 Regulation of nitric oxide release and biofilm development Newsouth Innovation Pty Limited (AU) 2015-10-13 US disclosed
US-20140221331-A1 REGULATION OF NITRIC OXIDE RELEASE AND BIOFILM DEVELOPMENT UNIVERSITY OF WOLLONGONG (AU) 2014-08-07 US disclosed
US-8377974-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-02-19 US disclosed
US-8324257-B2 Mitotic kinesin inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2012-12-04 US disclosed
US-20120178733-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2012-07-12 US disclosed
US-20100041719-A1 MITOTIC KINESIN INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2010-02-18 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 (13 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-11130737-B2 Multifunctional aminoquinoline therapeutic agents OPRK1, OPRM1, OPRD1 CHRM2 339/4885TDP1 1585/4885CYP2C9 3254/4885
US-20210253535-A1 INHIBITION OF OLIG2 ACTIVITY GLI2, ING2, GMFG CHRM2 4624/4885TDP1 3233/4885CYP2C9 4856/4885
US-10391088-B2 Analgesic compositions OPRK1, OPRL1, OPRM1 CHRM2 883/4885TDP1 2348/4885CYP2C9 555/4885
US-20190099412-A1 ANALGESIC COMPOSITIONS OPRK1, OPRL1, OPRM1 CHRM2 883/4885TDP1 2348/4885CYP2C9 555/4885
US-20160122302-A1 Mammalian and Bacterial Nitric Oxide Synthase Inhibitors NOS1, NOS2, NOS3 CHRM2 3907/4885TDP1 698/4885CYP2C9 1315/4885
US-20170204064-A1 MULTIFUNCTIONAL AMINOQUINOLINE THERAPEUTIC AGENTS OPRK1, OPRM1, OPRD1 CHRM2 313/4885TDP1 1933/4885CYP2C9 3660/4885
US-20160009733-A1 REGULATION OF NITRIC OXIDE RELEASE AND BIOFILM DEVELOPMENT NOS1, NOS2, NOS3 CHRM2 2289/4885TDP1 783/4885CYP2C9 2546/4885
US-20120178733-A1 FACTOR XA INHIBITORS TFPI, F12, F11 CHRM2 4059/4885TDP1 1080/4885CYP2C9 51/4885
US-20190076539-A1 AMINE-LINKED C3-GLUTARIMIDE DEGRONIMERS FOR TARGET PROTEIN DEGRADATION GCGR, STUB1, GID4 CHRM2 3328/4885TDP1 3884/4885CYP2C9 3332/4885
US-20100041719-A1 MITOTIC KINESIN INHIBITORS AND METHODS OF USE THEREOF KIF5B, KIF2C, KIF18B CHRM2 4348/4885TDP1 174/4885CYP2C9 4784/4885
US-20170275278-A1 Mammalian and Bacterial Nitric Oxide Synthase Inhibitors NOS1, NOS2, NOS3 CHRM2 1416/4885TDP1 871/4885CYP2C9 762/4885
US-20140221331-A1 REGULATION OF NITRIC OXIDE RELEASE AND BIOFILM DEVELOPMENT NOS1, NOS2, NOS3 CHRM2 2289/4885TDP1 783/4885CYP2C9 2546/4885
US-20210276956-A1 QUINOLINE-BASED COMPOUNDS AND METHODS OF INHIBITING CDK8/19 CDK8, CDK9, CDK19 CHRM2 3919/4885TDP1 684/4885CYP2C9 1309/4885

“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.