SCHEMBL3988129

SCHEMBL3988129

N#CCCN1CCCC1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.47
CHRM5 P08912 3/20 0.47
CHRM1 P11229 3/20 0.47
CHRM3 P20309 3/20 0.47
CYP2D6 P10635 2/20 0.47
CYP1A2 P05177 1/20 0.47
CHRM4 P08173 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
PIK3CD O00329 1/20 0.47
KMT2A Q03164 2/20 0.46
PKM P14618 2/20 0.46
MEN1 O00255 1/20 0.46
TSHR P16473 2/20 0.46
POLB P06746 1/20 0.43
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.43
APEX1 P27695 2/20 0.43
PMP22 Q01453 2/20 0.43
ALOX12 P18054 1/20 0.43

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
SCHEMBL14408262 0.94 CHRM2 (0.46) CHRM2CHRM5CHRM1CHRM3CYP2D6
SCHEMBL5081884 0.92 L3MBTL1 (0.46) CHRM2CHRM5CHRM1CHRM3CYP2D6
SCHEMBL3936513 0.88 PIK3CD (0.48) CHRM2CHRM5CHRM1CHRM3CYP2D6
SCHEMBL30353573 0.84 TSHR (0.41) CYP1A2PIK3CDKMT2ATSHRPOLB
SCHEMBL21052112 0.83 CHRM2 (0.47) CHRM2CHRM5CHRM1CHRM3CYP2D6
SCHEMBL261644 0.82 PIK3CD (0.58) CHRM2CHRM5CHRM1CHRM3CYP2D6
SCHEMBL14168930 0.81 POLB (0.43) CHRM2CHRM5CHRM1CHRM3CYP2D6
O-Xylene SCHEMBL28960722 0.79 ADRA1B (0.50) CYP1A2CYP2C9CYP2C19KMT2AMEN1
SCHEMBL163174 0.78
SCHEMBL6740977 0.78 MAPT (0.50) CHRM2CHRM5CHRM1CHRM3CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150133569-A1 CARBON NANOTUBE SUSPENSIONS AND METHODS OF MAKING THE SAME CHEIL INDUSTRIES, INC. (KR) 2015-05-14 US claimed
US-20150087858-A1 CARBON NANOTUBE SUSPENSIONS AND METHODS OF MAKING THE SAME CHEIL INDUSTRIES INC. (KR) 2015-03-26 US claimed
CN-118440085-A Method for preparing DBU and DBN by utilizing fixed bed reactor 济宁无内新材料技术研发中心(有限合伙) 2024-08-06 CN disclosed
US-20240246908-A1 TEAD INHIBITORS ORION CORPORATION (FI) 2024-07-25 US disclosed
CN-111466043-B Porous composite separator for secondary battery and lithium secondary battery comprising same SK新技术株式会社 2023-05-30 CN disclosed
EP-3066065-B1 CATALYTIC HYDROGENATION FOR THE PREPARATION OF AMINES FROM CARBOXYLIC ACID AMIDES, CARBOXYLIC ACID AMIDES, DI-, TRI- OR POLYPEPTIDES OR PEPTIDE AMIDES EVONIK DEGUSSA GMBH (DE) 2019-06-19 EP disclosed
US-9878975-B2 Catalytic hydrogenation for producing amines from carboxylic acid amides, carboxylic acid diamides, di-, tri-, or polypeptides, or peptide amides EVONIK DEGUSSA GMBH (DE) 2018-01-30 US disclosed
US-9878975-B2 Catalytic hydrogenation for producing amines from carboxylic acid amides, carboxylic acid diamides, di-, tri-, or polypeptides, or peptide amides EVONIK DEGUSSA GMBH (DE) 2018-01-30 US disclosed
US-9878975-B2 Catalytic hydrogenation for producing amines from carboxylic acid amides, carboxylic acid diamides, di-, tri-, or polypeptides, or peptide amides EVONIK DEGUSSA GMBH (DE) 2018-01-30 US disclosed
US-20160272571-A1 Catalytic Hydrogenation for Producing Amines from Carboxylic Acid Amides, Carboxylic Acid Diamides, Di-, Tri-, or Polypeptides, or Peptide Amides EVONIK DEGUSSA GMBH (DE) 2016-09-22 US disclosed
US-20160272571-A1 Catalytic Hydrogenation for Producing Amines from Carboxylic Acid Amides, Carboxylic Acid Diamides, Di-, Tri-, or Polypeptides, or Peptide Amides EVONIK DEGUSSA GMBH (DE) 2016-09-22 US disclosed
CN-1215727-A Bicyclic amidine and its use as catalyst LONZA AG (CH) 1999-05-05 CN disclosed
CN-1042227-C Process for preparing bicyclic amidines LONZA AG (CH) 1999-02-24 CN disclosed
WO-1999006397-A2 PYRROLIDINE-3-CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS ABBOTT LABORATORIES (US) 1999-02-11 WO disclosed
EP-0662476-B1 Process for the preparation of bicyclic amidines LONZA AG (CH) 1999-01-20 EP disclosed
EP-0885215-A1 NOVEL BENZO-1,3-DIOXOLYL- AND BENZOFURANYL SUBSTITUTED PYRROLIDINE DERIVATIVES AS ENDOTHELIN ANTAGONISTS Abbott Laboratories (US) 1998-12-23 EP disclosed
US-5723605-A Bicyclic amidines, process for their preparation, and their use as catalyst LONZA LTD. (CH) 1998-03-03 US disclosed
WO-1997030045-A1 NOVEL BENZO-1,3-DIOXOLYL- AND BENZOFURANYL SUBSTITUTED PYRROLIDINE DERIVATIVES AS ENDOTHELIN ANTAGONISTS ABBOTT LABORATORIES (US) 1997-08-21 WO disclosed
CN-1106406-A Bicyclic amidines, method for the production and use thereof as catalysts LONZA AG (CH) 1995-08-09 CN disclosed
EP-0662476-A1 Bicyclic amidines, process for their preparation and their use as catalysts LONZA AG (CH) 1995-07-12 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 (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-20240246908-A1 TEAD INHIBITORS TEAD3, TEAD1, TEAD2 CHRM2 886/4885CHRM5 1230/4885CHRM1 273/4885
US-20160272571-A1 Catalytic Hydrogenation for Producing Amines from Carboxylic Acid Amides, Carboxylic Acid Diamides, Di-, Tri-, or Polypeptides, or Peptide Amides DAO, DDC, HDGF CHRM2 3452/4885CHRM5 3880/4885CHRM1 3589/4885

“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.