SCHEMBL2647804

SCHEMBL2647804

CC(C)(C)C1CCC(N)(C#N)CC1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPT P10636 2/20 0.33
USP2 O75604 1/20 0.32
GAA P10253 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
ALOX15 P16050 1/20 0.31

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
SCHEMBL5946473 1.00 ALDH1A1 (0.40) ALDH1A1TDP1MAPTUSP2GAA
SCHEMBL5946474 1.00 ALDH1A1 (0.40) ALDH1A1TDP1MAPTUSP2GAA
SCHEMBL6294156 0.77 ALDH1A1 (0.31) ALDH1A1TDP1
SCHEMBL1809828 0.76
SCHEMBL1809829 0.76
SCHEMBL1809831 0.76
SCHEMBL21242271 0.73
SCHEMBL19090010 0.73 ALDH1A1 (0.70) ALDH1A1TDP1MAPTUSP2GAA
SCHEMBL15945538 0.73 ALDH1A1 (0.32) ALDH1A1TDP1MAPTUSP2GAA
SCHEMBL2656499 0.72 ALDH1A1 (0.36) ALDH1A1TDP1MAPTCYP1A2CYP2D6

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
US-11207420-B2 Cytotoxin and conjugate, uses of same and preparation method therefor SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2021-12-28 US disclosed
US-20200179529-A1 CYTOTOXIN AND CONJUGATE, USES OF SAME AND PREPARATION METHOD THEREFOR SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2020-06-11 US disclosed
EP-3617221-A1 CYTOTOXIN AND CONJUGATE, USES OF SAME, AND PREPARATION METHOD THEREFOR Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2020-03-04 EP disclosed
EP-2496556-B1 ACYLAMINO-SUBSTITUTED CYCLIC CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2018-12-26 EP disclosed
US-9018383-B2 Acylamino-substituted cyclic carboxylic acid derivatives and their use as pharmaceuticals SANOFI (FR) 2015-04-28 US disclosed
US-20140088158-A1 ACYLAMINO-SUBSTITUTED CYCLIC CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2014-03-27 US disclosed
US-8618304-B2 Acylamino-substituted cyclic carboxylic acid derivatives and their use as pharmaceuticals SANOFI (FR) 2013-12-31 US disclosed
CN-102858745-A Acylamino-substituted cyclic carboxylic acid derivatives and their use as medicaments SANOFI AVENTIS 2013-01-02 CN disclosed
US-20120264790-A1 ACYLAMINO-SUBSTITUTED CYCLIC CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2012-10-18 US disclosed
EP-1569915-A4 SPIROCYCLIC UREAS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO INC (US) 2007-07-11 EP disclosed
US-20060116366-A1 Spirocyclic ureas, compositions containing such compounds and methods of use MERCK & CO., INC. 2006-06-01 US disclosed
EP-1569915-A2 SPIROCYCLIC UREAS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE Merck & Co., Inc. (US) 2005-09-07 EP disclosed
WO-2004050039-A2 SPIROCYCLIC UREAS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO., INC. (US) 2004-06-17 WO 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-11207420-B2 Cytotoxin and conjugate, uses of same and preparation method therefor CD2, HAVCR2, CD4 ALDH1A1 3938/4885TDP1 3071/4885MAPT 2420/4885
US-20120264790-A1 ACYLAMINO-SUBSTITUTED CYCLIC CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS LPAR2, LIPG, EDF1 ALDH1A1 1362/4885TDP1 3549/4885MAPT 4725/4885
US-20060116366-A1 Spirocyclic ureas, compositions containing such compounds and methods of use UTS2R, GLP1R, GCGR ALDH1A1 3232/4885TDP1 4822/4885MAPT 2992/4885
US-20200179529-A1 CYTOTOXIN AND CONJUGATE, USES OF SAME AND PREPARATION METHOD THEREFOR CD2, HAVCR2, CD4 ALDH1A1 3938/4885TDP1 3071/4885MAPT 2420/4885
US-20140088158-A1 ACYLAMINO-SUBSTITUTED CYCLIC CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS LPAR2, LIPG, EDF1 ALDH1A1 1362/4885TDP1 3549/4885MAPT 4725/4885

“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.