SCHEMBL803697

SCHEMBL803697

CC(C)(C)N1CCc2cnccc2C1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.46
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42
MMP9 P14780 2/20 0.39
EED O75530 1/20 0.37
ATR Q13535 1/20 0.36
NAMPT P43490 5/20 0.36
SLC22A12 Q96S37 1/20 0.36
PDGFRB P09619 1/20 0.34
KDR P35968 1/20 0.34

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
SCHEMBL7771023 0.93 SIGMAR1 (0.46) SIGMAR1CHRNB2CHRNA4EEDATR
SCHEMBL7766918 0.85 SIGMAR1 (0.42) SIGMAR1CHRNB2CHRNA4MMP9NAMPT
SCHEMBL25522265 0.85 SIGMAR1 (0.42) SIGMAR1CHRNB2CHRNA4MMP9EED
SCHEMBL9965975 0.77 MAOA (0.59) SIGMAR1CHRNB2CHRNA4EED
SCHEMBL861951 0.76 MAOA (0.57) EED
SCHEMBL20078475 0.74 MAOA (0.55)
SCHEMBL23868391 0.74 PDGFRB (0.32) SIGMAR1ATRNAMPTPDGFRBKDR
SCHEMBL19619569 0.74 NAMPT (0.40) SIGMAR1CHRNB2CHRNA4NAMPT
SCHEMBL20159085 0.74 SIGMAR1 (0.61) SIGMAR1CHRNB2CHRNA4
SCHEMBL18630000 0.73 SIGMAR1 (0.50) SIGMAR1CHRNB2CHRNA4EEDNAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230142274-A1 SUBSTITUTED ARYL COMPOUND NANJING ZAIMING PHARMACEUTICAL CO., LTD. (CN) 2023-05-11 US disclosed
US-20230144581-A1 HETEROCYCLIC COMPOUNDS AS TRIGGERING RECEPTOR EXPRESSED ON MYELOID CELLS2 AGONISTS AND METHODS OF USE VIGIL NEUROSCIENCE, INC. 2023-05-11 US disclosed
US-20230142274-A1 SUBSTITUTED ARYL COMPOUND NANJING ZAIMING PHARMACEUTICAL CO., LTD. (CN) 2023-05-11 US disclosed
US-20230025932-A1 NOVEL FUNCTIONALIZED LACTONES AS MODULATORS OF THE 5-HYDROXYTRYPTAMINE RECEPTOR 7 AND THEIR METHOD OF USE PRAEVENTIX, LLC 2023-01-26 US disclosed
US-20230002383-A1 NOVEL FUNCTIONALIZED LACTAMS AS MODULATORS OF THE 5-HYDROXYTRYPTAMINE RECEPTOR 7 AND THEIR METHOD OF USE PRAEVENTIX, LLC 2023-01-05 US disclosed
US-11071721-B2 Bicyclic amide compounds and methods of use thereof GENENTECH, INC. (US) 2021-07-27 US disclosed
US-10933036-B2 2021-03-02 US disclosed
US-20180153831-A1 BICYCLIC AMIDE COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-06-07 US disclosed
US-20180153831-A1 BICYCLIC AMIDE COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-06-07 US disclosed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-8263598-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-09-11 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US disclosed
US-20100317644-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-16 US disclosed
US-20090253669-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-08 US disclosed
US-20090186899-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-07-23 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 (11 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-20100317644-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 SIGMAR1 143/4885CHRNB2 4415/4885CHRNA4 4328/4885
US-20180153831-A1 BICYCLIC AMIDE COMPOUNDS AND METHODS OF USE THEREOF CYP4B1, CYP1B1, AADAC SIGMAR1 251/4885CHRNB2 3285/4885CHRNA4 3127/4885
US-11071721-B2 Bicyclic amide compounds and methods of use thereof CYP4B1, CYP1B1, AADAC SIGMAR1 251/4885CHRNB2 3285/4885CHRNA4 3127/4885
US-20090186899-A1 Substituted Sulfonamide Compounds BDKRB1, BDKRB2, NPSR1 SIGMAR1 103/4885CHRNB2 873/4885CHRNA4 1048/4885
US-20090253669-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 SIGMAR1 1349/4885CHRNB2 4798/4885CHRNA4 4724/4885
US-10933036-B2 CYP1B1, CYP4B1, CYP11B2 SIGMAR1 220/4885CHRNB2 2486/4885CHRNA4 3087/4885
US-20230142274-A1 SUBSTITUTED ARYL COMPOUND RAD51, FANCI, BLM SIGMAR1 3648/4885CHRNB2 3715/4885CHRNA4 4466/4885
US-20230144581-A1 HETEROCYCLIC COMPOUNDS AS TRIGGERING RECEPTOR EXPRESSED ON MYELOID CELLS2 AGONISTS AND METHODS OF USE MSR1, FPR2, CD14 SIGMAR1 1101/4885CHRNB2 36/4885CHRNA4 248/4885
US-20230025932-A1 NOVEL FUNCTIONALIZED LACTONES AS MODULATORS OF THE 5-HYDROXYTRYPTAMINE RECEPTOR 7 AND THEIR METHOD OF USE HTR7, HTR2C, HTR3A SIGMAR1 91/4885CHRNB2 159/4885CHRNA4 223/4885
US-20230002383-A1 NOVEL FUNCTIONALIZED LACTAMS AS MODULATORS OF THE 5-HYDROXYTRYPTAMINE RECEPTOR 7 AND THEIR METHOD OF USE HTR7, HTR1A, HTR2C SIGMAR1 38/4885CHRNB2 151/4885CHRNA4 196/4885
US-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 SIGMAR1 369/4885CHRNB2 636/4885CHRNA4 720/4885

“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.