SCHEMBL4157641

SCHEMBL4157641

CC(CCC#N)C(C)(C)C#N

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL12707492 0.80 TSHR (0.50) TSHRALDH1A1TDP1
SCHEMBL14192822 0.78 TSHR (0.31) TSHR
SCHEMBL14192820 0.78 TSHR (0.31) TSHR
SCHEMBL13684297 0.78 TSHR (0.31) TSHR
SCHEMBL14192825 0.76
SCHEMBL13680115 0.76
SCHEMBL28101820 0.75 TSHR (0.33) TSHR
SCHEMBL4288456 0.73 TSHR (0.48) TSHRALDH1A1TDP1
SCHEMBL21502042 0.73
SCHEMBL316607 0.72

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-20090048466-A1 PROCESS FOR PREPARING AMINES BY CONDITIONING THE CATALYST WITH AMMONIA EVONIK DEGUSSA GMBH (DE) 2009-02-19 US claimed
EP-1984319-A1 PROCESS FOR PREPARING AMINES BY CONDITIONING THE CATALYST WITH AMMONIA Evonik Degussa GmbH (DE) 2008-10-29 EP claimed
WO-2007093240-A1 PROCESS FOR PREPARING AMINES BY CONDITIONING THE CATALYST WITH AMMONIA EVONIK DEGUSSA GMBH (DE) 2007-08-23 WO claimed
CN-113201419-A Cleaning method for adipic acid to adiponitrile process equipment 英威达纺织(英国)有限公司 2021-08-03 CN disclosed
US-20090048466-A1 PROCESS FOR PREPARING AMINES BY CONDITIONING THE CATALYST WITH AMMONIA EVONIK DEGUSSA GMBH (DE) 2009-02-19 US disclosed
EP-1984319-A1 PROCESS FOR PREPARING AMINES BY CONDITIONING THE CATALYST WITH AMMONIA Evonik Degussa GmbH (DE) 2008-10-29 EP disclosed
WO-2007093240-A1 PROCESS FOR PREPARING AMINES BY CONDITIONING THE CATALYST WITH AMMONIA EVONIK DEGUSSA GMBH (DE) 2007-08-23 WO disclosed
US-5202455-A Heating liquid mixture of acid and ammonia with phosphoric acid-based catalyst and adsorbent HUELS AKTIENGESELLSCHAFT (DE) 1993-04-13 US disclosed
EP-0491129-A2 Process for the nitrilation of aliphatic dicarboxylic acids in the liquid phase HÜLS AKTIENGESELLSCHAFT (DE) 1992-06-24 EP disclosed
US-4771135-A ANTIBIOTIC INTERMEDIATES ELI LILLY AND COMPANY (US) 1988-09-13 US disclosed
EP-0137187-B1 PROCESS FOR THE PREPARATION OF CYCLIC IMINES WITH 5 TO 7 LINKS BASF Aktiengesellschaft (DE) 1987-07-15 EP disclosed
EP-0163452-A1 A novel process for carbon-carbon bond formation at the C-4 position of 3-acylaminoazetidinones ELI LILLY AND COMPANY (US) 1985-12-04 EP disclosed
EP-0137187-A1 Process for the preparation of cyclic imines with 5 to 7 links BASF Aktiengesellschaft (DE) 1985-04-17 EP 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 (1 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-20090048466-A1 PROCESS FOR PREPARING AMINES BY CONDITIONING THE CATALYST WITH AMMONIA PNMT, HNMT, NAAA TSHR 2929/4885ALDH1A1 1591/4885TDP1 4058/4885

“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.