SCHEMBL2629511

SCHEMBL2629511

CC(C)(C)N1CC2CC1CN2Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 5/20 0.47
▸ MAPT P10636 1/20 0.44
▸ CHRM2 P08172 1/20 0.43
▸ CHRM4 P08173 1/20 0.43
▸ CHRM5 P08912 1/20 0.43
▸ CHRM1 P11229 1/20 0.43
▸ CHRM3 P20309 1/20 0.43

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
SCHEMBL13750966 1.00 SIGMAR1 (0.47) SIGMAR1MAPTCHRM2CHRM4CHRM5
SCHEMBL20328234 0.80 SIGMAR1 (0.51) SIGMAR1MAPT
SCHEMBL8698904 0.79 SIGMAR1 (0.50) SIGMAR1MAPT
SCHEMBL11776188 0.79 SIGMAR1 (0.50) SIGMAR1MAPT
SCHEMBL6995832 0.79 SIGMAR1 (0.50) SIGMAR1MAPT
SCHEMBL21180802 0.78 SIGMAR1 (0.37) SIGMAR1
SCHEMBL10211436 0.77 SIGMAR1 (0.48) SIGMAR1MAPTCHRM2CHRM4CHRM5
SCHEMBL16982000 0.76 SIGMAR1 (0.48) SIGMAR1MAPT
SCHEMBL21262312 0.76 SIGMAR1 (0.45) SIGMAR1MAPTCHRM2CHRM4CHRM5
Hydrochloric Acid SCHEMBL11778162 0.76 SIGMAR1 (0.48) SIGMAR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11771697-B2 Small molecule degraders of polybromo-1 (PBRM1) DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-10-03 — — US disclosed
US-10472336-B2 Modulators of indoleamine 2,3-dioxygenase GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-11-12 — — US disclosed
US-20190233441-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-08-01 — — US disclosed
US-20190040023-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-02-07 — — US disclosed
US-10189836-B2 Therapeutic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2019-01-29 — — US disclosed
US-20180086757-A1 TRIAZOLOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-03-29 — — US disclosed
US-20180086757-A1 TRIAZOLOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-03-29 — — US disclosed
US-9873709-B2 Triazolopyridine compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2018-01-23 — — US disclosed
US-9873709-B2 Triazolopyridine compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2018-01-23 — — US disclosed
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-08-10 — — US disclosed
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-08-10 — — US disclosed
US-20160185780-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2016-06-30 — — US disclosed
US-8492559-B2 Substituted indole compounds GRUENENTHAL GMBH (DE) 2013-07-23 — — US disclosed
US-8269000-B2 Substituted pyrimidine and triazine compounds GRUENENTHAL GMBH (DE) 2012-09-18 — — US disclosed
US-8158628-B2 Sulfonylated 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine compounds and their use as pharmaceuticals GRUENENTHAL GMBH (DE) 2012-04-17 — — US disclosed
US-8119805-B2 Substituted disulfonamide compounds GRUENENTHAL GMBH (DE) 2012-02-21 — — US disclosed
US-20100234387-A1 Sulfonylated Tetrahydroazolopyrazines and their Use as Pharmaceuticals GRUENETHAL GMBH (DE) 2010-09-16 — — US disclosed
US-20100222324-A1 Substituted Indole Compounds GRUENENTHAL GMBH (DE) 2010-09-02 — — US disclosed
US-20100173889-A1 Substituted Pyrimidine and Triazine Compounds GRUENENTHAL GMBH (DE) 2010-07-08 — — US disclosed
US-20100152158-A1 Substituted Disulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-06-17 — — 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 (12 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-20160185780-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 SIGMAR1 1063/4885MAPT 2732/4885CHRM2 2296/4885
US-20100152158-A1 Substituted Disulfonamide Compounds BDKRB1, BDKRB2, BRS3 SIGMAR1 288/4885MAPT 3806/4885CHRM2 309/4885
US-10189836-B2 Therapeutic compounds, compositions and methods of use thereof JAK2, JAK1, JAK3 SIGMAR1 1050/4885MAPT 2754/4885CHRM2 4756/4885
US-20100222324-A1 Substituted Indole Compounds BDKRB1, BDKRB2, EDNRB SIGMAR1 222/4885MAPT 1511/4885CHRM2 197/4885
US-20100234387-A1 Sulfonylated Tetrahydroazolopyrazines and their Use as Pharmaceuticals BDKRB1, BDKRB2, KCNB1 SIGMAR1 166/4885MAPT 4077/4885CHRM2 308/4885
US-11771697-B2 Small molecule degraders of polybromo-1 (PBRM1) PBRM1, SMARCC1, SMARCC2 SIGMAR1 2181/4885MAPT 1076/4885CHRM2 2705/4885
US-10472336-B2 Modulators of indoleamine 2,3-dioxygenase IDO1, IDO2, INMT SIGMAR1 1816/4885MAPT 1925/4885CHRM2 277/4885
US-20100173889-A1 Substituted Pyrimidine and Triazine Compounds ADORA2B, CCNB1, TYMS SIGMAR1 1220/4885MAPT 2366/4885CHRM2 986/4885
US-20190233441-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 SIGMAR1 1063/4885MAPT 2732/4885CHRM2 2296/4885
US-20180086757-A1 TRIAZOLOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF JAK1, JAK2, JAK3 SIGMAR1 770/4885MAPT 731/4885CHRM2 515/4885
US-20190040023-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, INMT SIGMAR1 1816/4885MAPT 1925/4885CHRM2 277/4885
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 SIGMAR1 1063/4885MAPT 2732/4885CHRM2 2296/4885

“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.

Send feedback