SCHEMBL646534

SCHEMBL646534

CC1(C)CC(=N)CC(C)(C#N)C1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAPT P10636 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
SCHEMBL13647454 0.77
SCHEMBL9502918 0.73
SCHEMBL647137 0.73 CTSK (0.36)
SCHEMBL28776947 0.71 ALDH1A1 (0.45)
SCHEMBL22139475 0.71
SCHEMBL19691078 0.68
SCHEMBL5409730 0.65 ALDH1A1 (0.32)
SCHEMBL3172618 0.62 ALDH1A1 (0.33)
SCHEMBL10447532 0.60
SCHEMBL872168 0.60

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107827832-B Method for preparing IPDI-based polyisocyanate curing agent 万华化学集团股份有限公司 2020-04-10 CN claimed
EP-2743251-B1 3-AMINOMETHYL-3, 5, 5-TRIMETHYL CYCLOHEXYLAMINE PREPARATION METHOD WANHUA CHEMICAL GROUP CO LTD (CN) 2018-06-27 EP claimed
EP-2930166-B1 METHOD FOR PREPARING 3-AMINOMETHYL-3,5,5-TRIMETHYL CYCLOHEXYLAMINE WANHUA CHEMICAL GROUP CO LTD (CN) 2018-06-20 EP claimed
US-9624162-B2 Method for preparing 3-aminomethyl-3,5,5-trimethyl cyclohexylamine WANHUA CHEMICAL GROUP CO., LTD. (CN) 2017-04-18 US claimed
US-20150315133-A1 Method For Preparing 3-Aminomethyl-3,5,5-Trimethyl Cyclohexylamine WANHUA CHEMICAL GROUP CO., LTD. (CN) 2015-11-05 US claimed
EP-2930166-A1 METHOD FOR PREPARING 3-AMINOMETHYL-3,5,5-TRIMETHYL CYCLOHEXYLAMINE Wanhua Chemical Group Co., Ltd. (CN) 2015-10-14 EP claimed
US-8884063-B2 Continuous process for the hydrogenation of 3-cyano-3,5,5-trimethyl-cyclohexylimine BASF SE (DE) 2014-11-11 US claimed
EP-2743251-A1 3-AMINOMETHYL-3, 5, 5-TRIMETHYL CYCLOHEXYLAMINE PREPARATION METHOD Wanhua Chemical Group Co., Ltd. (CN) 2014-06-18 EP claimed
US-20140142341-A1 3-AMINOMETHYL-3, 5, 5-TRIMETHYL CYCLOHEXYLAMINE PREPARATION METHOD WANHUA CHEMICAL (NINGBO) CO., LTD. (CN) 2014-05-22 US claimed
EP-2125696-B1 CONTINUOUS PROCESS FOR THE HYDROGENATION OF 3-CYANO-3,5,5-TRIMETHYL-CYCLOHEXYLIMINE BASF SE (DE) 2012-10-31 EP claimed
WO-2008077852-A1 CONTINUOUS PROCESS FOR THE HYDROGENATION OF 3-CYANO-3,5,5-TRIMETHYL-CYCLOHEXYLIMINE BASF SE (DE) 2008-07-03 WO claimed
EP-0913387-B1 Process for the preparation of isophoronediamine DEGUSSA (DE) 2003-01-15 EP claimed
EP-0926130-B1 Process for the preparation of 3-aminomethyl-3,5,5-trimethyl-cyclohexylamine with cis/trans-Isomer ratio of at least 70/30 BASF AG (DE) 2002-06-12 EP claimed
US-6022999-A Preparation of 3-aminomethyl-3,5,5-trimethylcyclohexylamine having a cis/trans isomer ratio of at least 70:30 BASF AKTIENGESELLSCHAFT (DE) 2000-02-08 US claimed
EP-0913387-A2 Process for the preparation of amines from imines or nitriles Degussa Aktiengesellschaft (DE) 1999-05-06 EP claimed
US-5679860-A Process for the production of 3-aminoethyl-3,5,5-trimethylcyclohexyl amine DEGUSSA AKTIENGESELLSCHAFT (DE) 1997-10-21 US claimed
EP-0771784-A1 Process for the preparation of 3-aminomethyl-3,5,5-trimethylcyclohexylamine Degussa Aktiengesellschaft (DE) 1997-05-07 EP claimed
US-5491264-A IMINIATION OF ISOPHORONE NITRILE USING REFRATORY OXIDE SUPPORTED HETEROPOLY ACID CATALYST TO FORM KETIMINE FOLLOWED BY REDUCTION OF KETIMINE TO ISOPHORONEDIAMINE IN PRESENCE OF HYDROGENATION CATALYST E. I. DU PONT DE NEMOURS AND COMPANY (US) 1996-02-13 US claimed
US-5406000-A Reacting 3-cyano-3,5,5-trialkylcyclohexanone with ammonia; then catalytic hydrogenation ELF/ATOCHEM NORTH AMERICA, INC. (US) 1995-04-11 US claimed
US-5371292-A Preparation of 3-aminomethyl-3,5,5-trimethyl-cyclohexylamine BASF AKTIENGESELLSCHAFT (DE) 1994-12-06 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20140142341-A1 3-AMINOMETHYL-3, 5, 5-TRIMETHYL CYCLOHEXYLAMINE PREPARATION METHOD HNMT, ACMSD, BCAT2 MAPT 3083/4885
US-20150315133-A1 Method For Preparing 3-Aminomethyl-3,5,5-Trimethyl Cyclohexylamine INMT, ALKBH5, CA3 MAPT 1522/4885

“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.