SCHEMBL3462018

SCHEMBL3462018

CC(C)CN(CCCCN)CC(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.44
CYP1A2 P05177 1/20 0.36
MAPK1 P28482 1/20 0.36
NFKB1 P19838 1/20 0.35
DNM1 Q05193 4/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA3 P07451 2/20 0.33
CA4 P22748 2/20 0.33
CA6 P23280 2/20 0.33
CA5A P35218 2/20 0.33
CA7 P43166 2/20 0.33
CA9 Q16790 2/20 0.33
CA14 Q9ULX7 2/20 0.33
CA5B Q9Y2D0 2/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
BLM P54132 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL3796629 0.98 CHRM2 (0.48) CHRM2CYP1A2MAPK1DNM1CA12
SCHEMBL1492443 0.98 CHRM2 (0.48) CHRM2CYP1A2MAPK1DNM1CA12
SCHEMBL15556814 0.93 CHRM2 (0.42) CHRM2CYP1A2MAPK1NFKB1DNM1
SCHEMBL3459171 0.92 CYP1A2 (0.37) CHRM2CYP1A2MAPK1NFKB1CA12
SCHEMBL9460351 0.88 CHRM2 (0.42) CHRM2CYP1A2MAPK1DNM1CA12
SCHEMBL9640544 0.87 CYP1A2 (0.37) CHRM2CYP1A2MAPK1NFKB1CA12
SCHEMBL15015862 0.87 CYP1A2 (0.43) CYP1A2MAPK1DNM1CA12CA1
Diaminooctane SCHEMBL6859268 0.84 DNM1 (0.44) CHRM2CYP1A2MAPK1NFKB1DNM1
SCHEMBL10706034 0.84 ALDH1A1 (0.42) CYP1A2MAPK1DNM1CA12CA1
SCHEMBL22482652 0.83 LCK (0.40) CHRM2CYP1A2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107540565-B Preparation of N, N- (di) alkylaminoalkyl (meth) acrylamides or the corresponding esters and quaternary ammonium salts thereof 赢创运营有限公司 2022-10-21 CN disclosed
EP-2841537-A1 USE OF ADDITIVES WITH DETERGENT ACTION FOR FURTHER INCREASING THE CETANE NUMBER OF FUEL OILS BASF SE (DE) 2015-03-04 EP disclosed
US-8674133-B2 Method for continuously producing alkylamino(meth)acrylamides EVONIK RÖHM GMBH (DE) 2014-03-18 US disclosed
WO-2013160294-A1 USE OF ADDITIVES WITH DETERGENT ACTION FOR FURTHER INCREASING THE CETANE NUMBER OF FUEL OILS BASF SE (DE) 2013-10-31 WO disclosed
US-20130276362-A1 USE OF ADDITIVES WITH DETERGENT ACTION FOR FURTHER INCREASING THE CETANE NUMBER OF FUEL OILS BASF SE (DE) 2013-10-24 US disclosed
EP-2157215-B1 POLYURETHANE ELASTIC FIBER ASAHI KASEI FIBERS CORP (JP) 2011-12-28 EP disclosed
US-20110313195-A1 METHOD FOR CONTINUOUSLY PRODUCING ALKYLAMINO(METH)ACRYLAMIDES EVONIK ROEHM GMBH (DE) 2011-12-22 US disclosed
US-20100184347-A1 POLYURETHANE ELASTIC FIBERS ASAHI KASEI FIBERS CORPORATION (JP) 2010-07-22 US disclosed
US-7723543-B2 Method for the continuous production of alkyl amino acryl amides EVONIK ROEHM GMBH (DE) 2010-05-25 US disclosed
EP-2157215-A1 POLYURETHANE ELASTIC FIBER Asahi Kasei Fibers Corporation (JP) 2010-02-24 EP disclosed
US-7586004-B2 Method for continuously producing alkylamino(meth)acrylamides ROEHM GMBH & CO. KG (DE) 2009-09-08 US disclosed
US-20090149674-A1 METHOD FOR THE CONTINUOUS PRODUCTION OF ALKYL AMINO ACRYL AMIDES ROEHM GMBH (DE) 2009-06-11 US disclosed
US-20070149811-A1 Method for continuously producing alkylamino(meth)acrylamides ROEHM GMBH & CO. KG (DE) 2007-06-28 US disclosed
EP-0870765-B1 AMINOTHIAZOLE DERIVATIVES, DRUG CONTAINING THE SAME AND INTERMEDIATE IN THE PRODUCTION OF THE COMPOUNDS ZERIA PHARM CO LTD (JP) 2003-11-19 EP disclosed
US-5981557-A HAVING IMPROVING EFFECTS ON THE DYSMOTILITY IN THE GASTROINTESTINAL TRACT ZERIA PHARMACEUTICAL CO., LTD. (JP) 1999-11-09 US disclosed
EP-0870765-A1 AMINOTHIAZOLE DERIVATIVES, DRUG CONTAINING THE SAME AND INTERMEDIATE IN THE PRODUCTION OF THE COMPOUNDS ZERIA PHARMACEUTICAL CO., LTD. (JP) 1998-10-14 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 (3 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-20110313195-A1 METHOD FOR CONTINUOUSLY PRODUCING ALKYLAMINO(METH)ACRYLAMIDES ACR, TET2, PAM CHRM2 3059/4885CYP1A2 264/4885MAPK1 2644/4885
US-20090149674-A1 METHOD FOR THE CONTINUOUS PRODUCTION OF ALKYL AMINO ACRYL AMIDES ACR, NAAA, AANAT CHRM2 3125/4885CYP1A2 213/4885MAPK1 3127/4885
US-20070149811-A1 Method for continuously producing alkylamino(meth)acrylamides ACR, MMAB, TET2 CHRM2 2763/4885CYP1A2 255/4885MAPK1 2640/4885

“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.