SCHEMBL3462017

SCHEMBL3462017

CCCCNN(CC(C)C)CC(C)C

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
TRPM8 Q7Z2W7 1/20 0.31
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
ADH1B P00325 1/20 0.31
ADH1C P00326 1/20 0.31
ADH1A P07327 1/20 0.31
ADH7 P40394 1/20 0.31
CA7 P43166 1/20 0.31
CA14 Q9ULX7 1/20 0.31
ALDH1A1 P00352 1/20 0.31
EPHX1 P07099 1/20 0.31
MMP2 P08253 1/20 0.30
CA9 Q16790 1/20 0.30
MMP8 P22894 1/20 0.30

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
SCHEMBL1492442 0.93 ALDH1A1 (0.40) TSHRTRPM8ADH1BADH1CADH1A
SCHEMBL22612189 0.91 EPHX1 (0.41) TSHRTRPM8ADH1BADH1CADH1A
SCHEMBL3459170 0.85 CA12 (0.32) CA12CA1CA2CA9
SCHEMBL181351 0.76 TSHR (0.43) TSHRCA12CA1CA2ADH1B
SCHEMBL578736 0.74 TSHR (0.41) TSHRCA12CA1CA2ADH1B
SCHEMBL3461423 0.74
SCHEMBL1796804 0.74 TSHR (0.41) TSHRCA12CA1CA2ADH1B
SCHEMBL28453204 0.73 PLA2G1B (0.40) TSHRADH1BADH1CADH1AADH7
SCHEMBL578855 0.72 TSHR (0.39) TSHRCA12CA1CA2ADH1B
SCHEMBL27536406 0.71

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 8 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
CN-107540565-A The preparation of N, N (two) alkyl amino alkyl (methyl) acrylamide or corresponding ester and its quaternary ammonium salt 赢创罗姆有限公司 2018-01-05 CN disclosed
US-8674133-B2 Method for continuously producing alkylamino(meth)acrylamides EVONIK RÖHM GMBH (DE) 2014-03-18 US disclosed
US-20110313195-A1 METHOD FOR CONTINUOUSLY PRODUCING ALKYLAMINO(METH)ACRYLAMIDES EVONIK ROEHM GMBH (DE) 2011-12-22 US disclosed
US-7723543-B2 Method for the continuous production of alkyl amino acryl amides EVONIK ROEHM GMBH (DE) 2010-05-25 US disclosed
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

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 TSHR 2998/4885TRPM8 3671/4885CA12 2834/4885
US-20090149674-A1 METHOD FOR THE CONTINUOUS PRODUCTION OF ALKYL AMINO ACRYL AMIDES ACR, NAAA, AANAT TSHR 3540/4885TRPM8 4453/4885CA12 1746/4885
US-20070149811-A1 Method for continuously producing alkylamino(meth)acrylamides ACR, MMAB, TET2 TSHR 3088/4885TRPM8 4311/4885CA12 2524/4885

“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.