SCHEMBL3156252

SCHEMBL3156252

C1CCCN(CCCCCCN2CCCCCC2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 1.00
MAPT P10636 2/20 0.56
SIGMAR1 Q99720 2/20 0.56
CYP1A2 P05177 1/20 0.54
MAPK1 P28482 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CXCR4 P61073 1/20 0.52
ALDH1A1 P00352 2/20 0.50
ALOX15 P16050 1/20 0.50

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
SCHEMBL9371058 1.00 HRH3 (1.00) HRH3MAPTSIGMAR1CYP1A2MAPK1
SCHEMBL9126300 1.00 HRH3 (1.00) HRH3MAPTSIGMAR1CYP1A2MAPK1
SCHEMBL15933346 1.00 HRH3 (1.00) HRH3MAPTSIGMAR1CYP1A2MAPK1
SCHEMBL9370421 1.00 HRH3 (1.00) HRH3MAPTSIGMAR1CYP1A2MAPK1
SCHEMBL557955 1.00 HRH3 (1.00) HRH3MAPTSIGMAR1CYP1A2MAPK1
Bromide SCHEMBL10774236 0.97 HRH3 (0.94) HRH3MAPTSIGMAR1CYP1A2MAPK1
SCHEMBL15462284 0.97 HRH3 (0.93) HRH3MAPTSIGMAR1CYP1A2MAPK1
SCHEMBL1882477 0.97 HRH3 (0.93) HRH3MAPTSIGMAR1CYP1A2MAPK1
SCHEMBL15762056 0.97 HRH3 (0.93) HRH3MAPTSIGMAR1CYP1A2MAPK1
SCHEMBL5665906 0.97 HRH3 (0.93) HRH3MAPTSIGMAR1CYP1A2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-59148772-A None JP disclosed
EP-3515898-B1 PROCESS FOR THE PREPARATION OF POLYAMINES STARTING FROM DINITRILES AND/OR AMINONITRILES BASF SE (DE) 2020-11-11 EP disclosed
US-20190218341-A1 METHOD FOR THE PREPARATION OF POLYAMINES FROM DINITRILES AND/OR AMINO NITRILES BASF SE (DE) 2019-07-18 US disclosed
WO-2018050555-A1 METHOD FOR THE PREPARATION OF POLYAMINES FROM DINITRILES AND/OR AMINO NITRILES BASF SE (DE) 2018-03-22 WO disclosed
EP-1373208-B1 A PROCESS FOR THE SYNTHESIS OF AN ALIPHATIC CYCLIC AMINE COUNCIL SCIENT IND RES (IN) 2010-03-10 EP disclosed
EP-1373208-A1 A PROCESS FOR THE SYNTHESIS OF AN ALIPHATIC CYCLIC AMINE Council of Scientific and Industrial Research (IN) 2004-01-02 EP disclosed
US-6528647-B2 Reacting dihydric alcohol characterized by four to six carbons, preferably 1,5-pentanediol, with excess ammonia in presence of ZSM-5 catalyst modified with nickel, copper or cobalt COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2003-03-04 US disclosed
US-20020183517-A1 Process for the synthesis of an aliphatic cyclic amine COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH 2002-12-05 US disclosed
WO-2002079160-A1 A PROCESS FOR THE SYNTHESIS OF AN ALIPHATIC CYCLIC AMINE COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2002-10-10 WO disclosed
EP-0759914-B1 TERTIARY DIAMINE, ITS USE AS CATALYST AND METHOD FOR PREPARATION OF TERTIARY DIAMINES LONZA AG (CH) 1998-09-23 EP disclosed
US-5698607-A Tertiary diamine, its use as catalyst, and process for preparing tertiary diamines LONZA AG (CH) 1997-12-16 US disclosed
EP-0759914-A1 TERTIARY DIAMINE, ITS USE AS CATALYST AND METHOD FOR PREPARATION OF TERTIARY DIAMINES LONZA AG (CH) 1997-03-05 EP disclosed
WO-1995030666-A1 TERTIARY DIAMINE, ITS USE AS CATALYST AND METHOD FOR PREPARATION OF TERTIARY DIAMINES LONZA AG (CH) 1995-11-16 WO disclosed
JP-S59148772-A PREPARATION OF HEXAMETHYLENEIMINE MITSUBISHI PETROCHEM CO LTD 1984-08-25 JP disclosed
US-4290946-A CONTINUOUS PROCESSING, HEXAMETHYLENEDIAMINE ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1981-09-22 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 (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-20190218341-A1 METHOD FOR THE PREPARATION OF POLYAMINES FROM DINITRILES AND/OR AMINO NITRILES SRM, PRMT1, HNMT HRH3 371/4885MAPT 2101/4885SIGMAR1 1110/4885

“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.