SCHEMBL14378317

SCHEMBL14378317

CSC1CCN(C(C)C)CC1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.33
CYP2D6 P10635 1/20 0.33
KCNH2 Q12809 1/20 0.33
CHRNA7 P36544 1/20 0.33
KDM1A O60341 1/20 0.33
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL27255092 0.91 HRH3 (0.31) HRH3CYP2D6KCNH2
SCHEMBL21191898 0.85
SCHEMBL21473019 0.80 HRH3 (0.32) HRH3CYP2D6KCNH2CHRNA7KDM1A
SCHEMBL20715134 0.80 HRH3 (0.32) HRH3CYP2D6KCNH2CHRNA7KDM1A
SCHEMBL22874763 0.80 HRH3 (0.39) HRH3
SCHEMBL25046185 0.78 HRH3 (0.36) HRH3CYP2D6KCNH2
SCHEMBL26846258 0.78 CYP2D6 (0.35) HRH3CYP2D6
SCHEMBL21482205 0.77 HRH3 (0.33) HRH3CYP2D6KCNH2
SCHEMBL22566191 0.77 HRH3 (0.36) HRH3CYP2D6KCNH2
SCHEMBL12909477 0.77 HRH3 (0.33) HRH3CYP2D6KCNH2CHRNA7KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023161878-A1 CYTOTOXICITY TARGETING CHIMERAS FOR FOLATE RECEPTOR-EXPRESSING CELLS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-08-31 WO disclosed
WO-2022133285-A1 MOLECULES AND METHODS RELATED TO TREATMNET OF DISORDERS ASSOCIATED WITH JAK-2 SIGNALING DYSFUNCTION ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2022-06-23 WO disclosed
WO-2022081925-A1 TRICYCLIC LIGANDS FOR DEGRADATION OF IKZF2 OR IKZF4 C4 THERAPEUTICS, INC. (US) 2022-04-21 WO disclosed
US-10766860-B2 Lysyl oxidase-like 2 inhibitors and uses thereof PHARMAKEA, INC. (US) 2020-09-08 US disclosed
WO-2020160193-A2 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2020-08-06 WO disclosed
US-10392368-B2 Pyrazolo and triazolo bicyclic compounds as JAK kinase inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2019-08-27 US disclosed
US-20190040043-A1 PYRAZOLO AND TRIAZOLO BICYCLIC COMPOUNDS AS JAK KINASE INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2019-02-07 US disclosed
US-10196364-B2 Pyrimidine carboxamides as sodium channel blockers PURDUE PHARMA L.P. (US) 2019-02-05 US disclosed
US-20180057458-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA, INC. 2018-03-01 US disclosed
US-20170210713-A1 PYRIMIDINE CARBOXAMIDES AS SODIUM CHANNEL BLOCKERS PURDUE PHARMA L.P. 2017-07-27 US disclosed
US-9233979-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2016-01-12 US disclosed
US-20150266895-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-09-24 US disclosed
US-20070238694-A1 Purine compounds and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2007-10-11 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 (8 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-10196364-B2 Pyrimidine carboxamides as sodium channel blockers CACNA1A, TRPV1, TRPA1 HRH3 473/4885CYP2D6 408/4885KCNH2 35/4885
US-20070238694-A1 Purine compounds and methods of use thereof PNP, ADORA2A, P2RY1 HRH3 2227/4885CYP2D6 2012/4885KCNH2 3178/4885
US-20190040043-A1 PYRAZOLO AND TRIAZOLO BICYCLIC COMPOUNDS AS JAK KINASE INHIBITORS JAK3, JAK1, JAK2 HRH3 977/4885CYP2D6 1682/4885KCNH2 2048/4885
US-20150266895-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MAPK1, MAPK10, MAP3K1 HRH3 3425/4885CYP2D6 1831/4885KCNH2 4428/4885
US-10392368-B2 Pyrazolo and triazolo bicyclic compounds as JAK kinase inhibitors JAK3, JAK1, JAK2 HRH3 977/4885CYP2D6 1682/4885KCNH2 2048/4885
US-20170210713-A1 PYRIMIDINE CARBOXAMIDES AS SODIUM CHANNEL BLOCKERS CACNA1A, TRPV1, TRPA1 HRH3 473/4885CYP2D6 408/4885KCNH2 35/4885
US-10766860-B2 Lysyl oxidase-like 2 inhibitors and uses thereof LOXL2, LOXL1, LOX HRH3 3039/4885CYP2D6 1111/4885KCNH2 4654/4885
US-20180057458-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF LOXL2, LOXL1, LOX HRH3 3039/4885CYP2D6 1111/4885KCNH2 4654/4885

“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.