SCHEMBL12414784

SCHEMBL12414784

Cc1cc(CC(C)C)n(C)n1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.39
KCNH2 Q12809 13/20 0.39
GRIN2B Q13224 1/20 0.38
MPO P05164 1/20 0.35
FFAR1 O14842 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
GLS O94925 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL19429830 0.82 DAO (0.37) DAOKCNH2GRIN2BMPOFFAR1
SCHEMBL27542274 0.79 TLR7 (0.36) KCNH2
SCHEMBL23399240 0.78 GABRA1 (0.32) DAO
SCHEMBL24040188 0.77 DAO (0.34) DAOKCNH2GRIN2BMPOFFAR1
SCHEMBL27110118 0.76 GAA (0.40) NPSR1GLSSMN1; SMN2
SCHEMBL26926613 0.76 DAO (0.38) DAOKCNH2GRIN2BMPOFFAR1
SCHEMBL2608838 0.76 FFAR1 (0.39) DAOKCNH2GRIN2BMPOFFAR1
SCHEMBL256691 0.76
SCHEMBL17051327 0.75 PDE10A (0.35) SMN1; SMN2
SCHEMBL14012143 0.75 BCHE (0.33) KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210292300-A1 DIMETHOXYPHENYL SUBSTITUTED INDOLE COMPOUNDS AS TLR7, TLR8 OR TLR9 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-09-23 US disclosed
US-20200289456-A1 METHODS FOR INHIBITING TUMORS AND DRUG RESISTANCE SEQUOIA PHARMACEUTICALS, INC., 2020-09-17 US disclosed
US-9884048-B2 ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2018-02-06 US disclosed
US-9884048-B2 ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2018-02-06 US disclosed
US-20170354636-A1 METHODS FOR INHIBITING TUMORS AND DRUG RESISTANCE SEQUOIA PHARMACEUTICALS INC (US) 2017-12-14 US disclosed
US-20170354636-A1 METHODS FOR INHIBITING TUMORS AND DRUG RESISTANCE SEQUOIA PHARMACEUTICALS INC (US) 2017-12-14 US disclosed
US-20170280720-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-10-05 US disclosed
US-20170280720-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-10-05 US disclosed
US-20170266167-A1 ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-09-21 US disclosed
US-20170266167-A1 ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-09-21 US disclosed
US-9540354-B2 Diamide inhibitors of cytochrome P450 SEQUOIA PHARMACEUTICALS, INC. (US) 2017-01-10 US disclosed
US-20150087676-A1 Diamide Inhibitors of Cytochrome P450 SEQUOIA PHARMACEUTICALS INC (US) 2015-03-26 US disclosed
US-8906647-B2 Diamide inhibitors of cytochrome P450 SEQUOIA PHARMACEUTICALS, INC. (US) 2014-12-09 US disclosed
US-8293729-B2 Compounds, pharmaceutical composition and methods relating thereto BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-23 US disclosed
US-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-07 US disclosed
US-20110098236-A1 DIAMIDE INHIBITORS OF CYTOCHROME P450 SEQUOIA PHARMACEUTICALS, INC. (US) 2011-04-28 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-20150087676-A1 Diamide Inhibitors of Cytochrome P450 CYP2E1, CYP1A2, CYP3A43 DAO 213/4885KCNH2 3093/4885GRIN2B 2854/4885
US-20170266167-A1 ERK INHIBITORS MAPK1, MAPK3, MAPK6 DAO 4224/4885KCNH2 4355/4885GRIN2B 3144/4885
US-20200289456-A1 METHODS FOR INHIBITING TUMORS AND DRUG RESISTANCE HCCS, CYP2E1, CYP7A1 DAO 1525/4885KCNH2 4309/4885GRIN2B 3816/4885
US-20210292300-A1 DIMETHOXYPHENYL SUBSTITUTED INDOLE COMPOUNDS AS TLR7, TLR8 OR TLR9 INHIBITORS TLR9, TLR7, TLR8 DAO 1724/4885KCNH2 1618/4885GRIN2B 862/4885
US-20170280720-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 DAO 550/4885KCNH2 4751/4885GRIN2B 1425/4885
US-20170354636-A1 METHODS FOR INHIBITING TUMORS AND DRUG RESISTANCE HCCS, CYP2E1, CYP7A1 DAO 1525/4885KCNH2 4309/4885GRIN2B 3816/4885
US-20110098236-A1 DIAMIDE INHIBITORS OF CYTOCHROME P450 CYP2E1, CYP1A2, CYP3A43 DAO 213/4885KCNH2 3093/4885GRIN2B 2854/4885
US-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO MC2R, REN, CYP11B2 DAO 595/4885KCNH2 2188/4885GRIN2B 3678/4885

“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.