SCHEMBL7721235

SCHEMBL7721235

CC(C)NC(=O)CN1CCCC1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.72
CHRM3 P20309 1/20 0.72
ALDH1A1 P00352 6/20 0.62
NPC1 O15118 1/20 0.60
POLB P06746 2/20 0.57
CYP3A4 P08684 1/20 0.57
GAA P10253 1/20 0.57
CYP2C19 P33261 1/20 0.57
KMT2A Q03164 4/20 0.54
TDP1 Q9NUW8 3/20 0.54
MEN1 O00255 2/20 0.54
SIGMAR1 Q99720 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
KDM4E B2RXH2 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL13417680 0.98 CHRM5 (0.70) CHRM5CHRM3ALDH1A1NPC1POLB
SCHEMBL18743787 0.96 CHRM5 (0.72) CHRM5CHRM3ALDH1A1NPC1POLB
SCHEMBL23464917 0.93 CHRM5 (0.75) CHRM5CHRM3ALDH1A1NPC1POLB
SCHEMBL2111226 0.87 ALDH1A1 (0.67) CHRM5CHRM3ALDH1A1NPC1POLB
SCHEMBL2629206 0.86 SIGMAR1 (0.66) CHRM5CHRM3ALDH1A1NPC1POLB
SCHEMBL18811886 0.86 CHRM5 (0.66) CHRM5CHRM3ALDH1A1NPC1POLB
SCHEMBL18811738 0.86 CHRM5 (0.66) CHRM5CHRM3ALDH1A1NPC1POLB
SCHEMBL20328825 0.86 CHRM5 (0.66) CHRM5CHRM3ALDH1A1NPC1POLB
SCHEMBL23095532 0.85 SIGMAR1 (0.74) CHRM5CHRM3ALDH1A1NPC1POLB
SCHEMBL24739915 0.84 SIGMAR1 (0.55) CHRM5CHRM3ALDH1A1NPC1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025922-A1 TETRAHYDROPYRIDO[3,4-d]PYRIMIDINES AS HPK1 INHIBITORS MERCK HEALTHCARE KGAA (DE) 2024-01-25 US disclosed
US-20240025922-A1 TETRAHYDROPYRIDO[3,4-d]PYRIMIDINES AS HPK1 INHIBITORS MERCK HEALTHCARE KGAA (DE) 2024-01-25 US disclosed
US-20230258652-A1 Phenacylbromide-Based Mass Tags For Carboxyl And Phenolic Functional Group Containing Analytes DH TECHNOLOGIES DEVELOPMENT PTE. LTD. (SG) 2023-08-17 US disclosed
US-20230258652-A1 Phenacylbromide-Based Mass Tags For Carboxyl And Phenolic Functional Group Containing Analytes DH TECHNOLOGIES DEVELOPMENT PTE. LTD. (SG) 2023-08-17 US disclosed
US-20230242565-A1 Macrolides with Modified Desosamine Sugars and Uses Thereof ZIKANI THERAPEUTICS, INC. 2023-08-03 US disclosed
US-20230242565-A1 Macrolides with Modified Desosamine Sugars and Uses Thereof ZIKANI THERAPEUTICS, INC. 2023-08-03 US disclosed
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-07-06 US disclosed
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-07-06 US disclosed
US-20230192663-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-06-22 US disclosed
US-20230192663-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-06-22 US disclosed
US-9573895-B2 Tetracycline compounds TETRAPHASE PHARMACEUTICALS, INC. (US) 2017-02-21 US disclosed
US-9573895-B2 Tetracycline compounds TETRAPHASE PHARMACEUTICALS, INC. (US) 2017-02-21 US disclosed
US-20160107988-A1 Tetracycline Compounds TETRAPHASE PHARMACEUTICALS, INC. (US) 2016-04-21 US disclosed
US-20150352108-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBK1 AND/OR IKK EPSILON ALZHEIMER'S INSTITUTE OF AMERICA (US) 2015-12-10 US disclosed
US-20150051111-A1 ANALYSIS OF ESTRADIOL AND ANALYTES WITH PHENOLIC OH USING LABELING CHEMISTRY AND LC-MSMS WORKFLOW DH TECHNOLOGIES DEVELOPMENT PTE. LTD. (SG) 2015-02-19 US disclosed
US-20120238540-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF IKK EPSILON AND/OR TBK1 MYREXIS, INC. (US) 2012-09-20 US disclosed
US-20120238540-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF IKK EPSILON AND/OR TBK1 MYREXIS, INC. (US) 2012-09-20 US disclosed
US-8198458-B2 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-12 US disclosed
WO-2011046970-A1 AMINO - PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBKL AND/OR IKK EPSILON MYREXIS, INC. (US) 2011-04-21 WO disclosed
US-6875765-B2 Arylsulfonamide ethers, and methods of use thereof WARNER-LAMBERT COMPANY (US) 2005-04-05 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 (7 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-20160107988-A1 Tetracycline Compounds TREH, TUBB, TUBB6 CHRM5 4760/4885CHRM3 4872/4885ALDH1A1 2506/4885
US-20150352108-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBK1 AND/OR IKK EPSILON TBK1, NFKBIA, CHUK CHRM5 3147/4885CHRM3 3973/4885ALDH1A1 4754/4885
US-20240025922-A1 TETRAHYDROPYRIDO[3,4-d]PYRIMIDINES AS HPK1 INHIBITORS PDXK, DTYMK, HIPK1 CHRM5 4833/4885CHRM3 4544/4885ALDH1A1 3576/4885
US-20230192663-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTSV, CTRL, CTSL CHRM5 4860/4885CHRM3 4775/4885ALDH1A1 1798/4885
US-20120238540-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF IKK EPSILON AND/OR TBK1 TBK1, NFKBIA, IKBKB CHRM5 4188/4885CHRM3 4507/4885ALDH1A1 4626/4885
US-20230242565-A1 Macrolides with Modified Desosamine Sugars and Uses Thereof FUT6, DDOST, MGAM CHRM5 2267/4885CHRM3 2910/4885ALDH1A1 4673/4885
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSL, CTSV CHRM5 4859/4885CHRM3 4787/4885ALDH1A1 1863/4885

“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.