SCHEMBL2599701

SCHEMBL2599701

CC1(C)CCOc2ccc(Br)cc21

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RARA P10276 4/20 0.48
RARB P10826 4/20 0.48
RARG P13631 4/20 0.48
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
BLM P54132 1/20 0.46
BACE1 P56817 11/20 0.44
CYP26A1 O43174 1/20 0.42
CYP26B1 Q9NR63 1/20 0.42
RXRA P19793 1/20 0.42

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
SCHEMBL29616597 1.00 RARA (0.48) RARARARBRARGLMNAMAPT
SCHEMBL30250112 0.86 LMNA (0.46) RARARARBRARGLMNAMAPT
SCHEMBL4847627 0.86 LMNA (0.46) RARARARBRARGLMNAMAPT
SCHEMBL12144413 0.83 LMNA (0.43) RARARARBRARGLMNAMAPT
SCHEMBL2618847 0.81 BACE1 (0.50) RARARARBRARGBACE1
SCHEMBL18211725 0.80 MAP3K14 (0.50) RARARARBRARGBACE1CYP26A1
SCHEMBL29790891 0.80 MAPT (0.47) LMNAMAPTHTTBLMBACE1
SCHEMBL8293244 0.80 RARA (0.49) RARARARBRARGMAPTBACE1
SCHEMBL30749131 0.80 MAPT (0.47) LMNAMAPTHTTBLMBACE1
SCHEMBL23706042 0.79 BACE1 (0.40) RARARARBRARGLMNAMAPT

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114401968-A Novel heterocyclic monoacylglycerol lipase (MAGL) inhibitors 豪夫迈·罗氏有限公司 2022-04-26 CN disclosed
US-20210094973-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2021-04-01 US disclosed
EP-2970215-B1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBVIE DEUTSCHLAND (DE) 2019-04-17 EP disclosed
US-10065953-B2 Imidazo[1,2-A]pyridine derivatives for use as inhibitors of human immunodeficiency virus replication VIIV Healthcare UK (No.5) Limited (GB) 2018-09-04 US disclosed
US-20180222901-A1 IMIDAZO[1,2-A]PYRIDINE DERIVATIVES FOR USE AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY 2018-08-09 US disclosed
US-20180222901-A1 IMIDAZO[1,2-A]PYRIDINE DERIVATIVES FOR USE AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY 2018-08-09 US disclosed
US-20180222901-A1 IMIDAZO[1,2-A]PYRIDINE DERIVATIVES FOR USE AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY 2018-08-09 US disclosed
EP-3186254-A1 IMIDAZO[1,2-A]PYRIDINE DERIVATIVES FOR USE AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2017-07-05 EP disclosed
US-9656955-B2 Pyrrolidine derivatives, pharmaceutical compositions containing them, and their use in therapy ABBVIE INC. (US) 2017-05-23 US disclosed
US-9650334-B2 Pyrrolidine derivatives, pharmaceutical compositions containing them, and their use in therapy ABBVIE INC. (US) 2017-05-16 US disclosed
US-20130040978-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS MERCK SHARP & DOHME CORP 2013-02-14 US disclosed
US-20130040978-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS MERCK SHARP & DOHME CORP 2013-02-14 US disclosed
US-20120041012-A1 SUBSTITUTED SPIROCYCLIC AMINES USEFUL AS ANTIDIABETIC COMPOUNDS MERCK SHARP & DOHME CORP. 2012-02-16 US disclosed
US-20120041012-A1 SUBSTITUTED SPIROCYCLIC AMINES USEFUL AS ANTIDIABETIC COMPOUNDS MERCK SHARP & DOHME CORP. 2012-02-16 US disclosed
WO-2011146324-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2011-11-24 WO disclosed
WO-2011146324-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2011-11-24 WO disclosed
WO-2010129729-A1 SUBSTITUTED SPIROCYCLIC AMINES USEFUL AS ANTIDIABETIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2010-11-11 WO disclosed
EP-0740665-B1 PROCESS FOR PREPARING 4,4-DIALKYL-6-HALO-CHROMANS OR THIOCHROMANS USEFUL AS PHARMACEUTICAL INTERMEDIATES ALLERGAN SALES INC (US) 2000-12-06 EP disclosed
US-5519150-A Process for preparing 4,4-dialkyl-6-halo-chromans or thiochromans useful as pharmaceutical intermediates ALLERGAN (US) 1996-05-21 US disclosed
US-5420295-A Process for preparing 4,4-dialkyl-6-halo-chromans or thiochromans useful as pharmaceutical intermediates ALLERGAN, INC. (US) 1995-05-30 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 (5 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-20210094973-A1 HETEROCYCLIC COMPOUNDS H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP1A1, CYP1B1 RARA 1509/4885RARB 2058/4885RARG 2071/4885
US-20180222901-A1 IMIDAZO[1,2-A]PYRIDINE DERIVATIVES FOR USE AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION MAVS, EIF2AK2, ITPA RARA 2314/4885RARB 2480/4885RARG 2506/4885
US-20120041012-A1 SUBSTITUTED SPIROCYCLIC AMINES USEFUL AS ANTIDIABETIC COMPOUNDS SSTR5, SSTR2, GPR119 RARA 2550/4885RARB 2760/4885RARG 2970/4885
US-10065953-B2 Imidazo[1,2-A]pyridine derivatives for use as inhibitors of human immunodeficiency virus replication MAVS, EIF2AK2, ITPA RARA 2314/4885RARB 2480/4885RARG 2506/4885
US-20130040978-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS SSTR5, SSTR2, SSTR1 RARA 2207/4885RARB 2283/4885RARG 3020/4885

“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.