SCHEMBL368343

SCHEMBL368343

CC(C)(C(N)=O)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 1.00
KMT2A Q03164 1/20 1.00
KCNN4 O15554 7/20 0.48
CYP2C19 P33261 2/20 0.48
HIF1A Q16665 1/20 0.48
HDAC3 O15379 2/20 0.47
HDAC4 P56524 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC7 Q8WUI4 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC10 Q969S8 2/20 0.47
HDAC11 Q96DB2 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC9 Q9UKV0 2/20 0.47
HDAC5 Q9UQL6 2/20 0.47
HTT P42858 1/20 0.46
CYP1A2 P05177 2/20 0.45
CYP2D6 P10635 1/20 0.45
TAAR1 Q96RJ0 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
Hydrochloric Acid SCHEMBL6174190 0.98 MAPT (0.95) MAPTKMT2AKCNN4CYP2C19HIF1A
SCHEMBL31196684 0.87 MAPT (0.77) MAPTKMT2AKCNN4CYP2C19HIF1A
SCHEMBL5936056 0.81 MAPT (0.68) MAPTKMT2AHIF1AHDAC1HTT
SCHEMBL29159698 0.81 MAPT (0.68) MAPTKMT2AKCNN4CYP2C19HIF1A
SCHEMBL2781433 0.81 MAPT (0.68) MAPTKMT2AKCNN4CYP2C19HIF1A
SCHEMBL3637376 0.80 KMT2A (0.67) MAPTKMT2ACYP1A2ALDH1A1TSHR
SCHEMBL25049822 0.80 MAPT (0.67) MAPTKMT2AKCNN4CYP2C19HIF1A
SCHEMBL6571 0.80 MAPT (0.67) MAPTKMT2AKCNN4CYP2C19HIF1A
SCHEMBL1706266 0.79 MAPT (0.65) MAPTKMT2AKCNN4CYP2C19HIF1A
SCHEMBL7873851 0.79 MAPT (0.65) MAPTKMT2AKCNN4HDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4384016-A1 ACTIVE COMPOUND COMBINATIONS AND FUNGICIDE COMPOSITIONS COMPRISING THOSE Bayer Aktiengesellschaft (DE) 2024-06-19 EP claimed
WO-2023017120-A1 ACTIVE COMPOUND COMBINATIONS AND FUNGICIDE COMPOSITIONS COMPRISING THOSE BAYER AKTIENGESELLSCHAFT (DE) 2023-02-16 WO claimed
CN-104557599-B Preparation and splitting method of 2-acyl amino-3-biphenylylpropionic acid 浙江九洲药业股份有限公司 2017-02-22 CN claimed
CN-105399666-A Fungicide hydroxyimino-heterocyclic derivatives BAYER CROSPSCIENCE AG 2016-03-16 CN claimed
CN-103781780-B As the heterocyclyl pyrimidines analogue of JAK inhibitor CELLZOME LTD. (GB) 2015-11-25 CN claimed
CN-102725270-B Fungicide hydroxyimino-heterocyclic derivatives BAYER CROPSCIENCE AG (DE) 2015-10-07 CN claimed
CN-103781780-A Heterocyclyl pyrimidine analogues as JAK inhibitors CELLZOME LTD 2014-05-07 CN claimed
US-8703990-B2 Process for manufacture and resolution of 2-acylamino-3-diphenylpropanoic acid Zhejiang Jiuzhous Pharmaceutical Co., Ltd. (CN) 2014-04-22 US claimed
CN-102725270-A Fungicide hydroxyimino-heterocyclic derivatives BAYER CROPSCIENCE AG 2012-10-10 CN claimed
EP-2261207-A1 Intermediates for the preparation of antihistaminic 4-diphenylmethyl/diphenylmethoxy piperidine derivatives Aventisub II Inc. (US) 2010-12-15 EP claimed
US-20020007085-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives MERRELL PHARMACEUTICALS INC. 2002-01-17 US claimed
US-20010031895-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives MERRELL DOW PHARMACEUTICALS INC. 2001-10-18 US claimed
US-20010021791-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives MERRELL PHARMACEUTICALS INC. 2001-09-13 US claimed
US-20010020114-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives MERRELL PHARMACEUTICALS INC. 2001-09-06 US claimed
US-20010018521-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives MERRELL PHARMACEUTICALS INC. 2001-08-30 US claimed
US-6242606-B1 REACTING A A,A-DIMETHYLPHENYLACETIC ACID AMIDE WITH A W-HALO COMPOUND PRODUCES W'-HALO-A-KETO-A,A-DIMETHYLPHENYLACETIC ACID AMIDE AND REACTING IT WITH A PIPERIDINE COMPOUND; 2-(4-(4-CHLORO-BUTYRYL)-PHENYL)-2-METHY-PROPIONIC ACID MERRELL PHARMACEUTICALS INC. 2001-06-05 US claimed
US-20010000038-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives CHATTEM INC. 2001-03-15 US claimed
JP-H08512028-A 1996-12-17 JP claimed
EP-0705245-A1 NOVEL INTERMEDIATES FOR THE PREPARATION OF ANTIHISTAMINIC 4-DIPHENYLMETHYL/DIPHENYLMETHOXY PIPERIDINE DERIVATIVES MERRELL PHARMACEUTICALS INC. (US) 1996-04-10 EP claimed
WO-1995000480-A1 NOVEL INTERMEDIATES FOR THE PREPARATION OF ANTIHISTAMINIC 4-DIPHENYLMETHYL/DIPHENYLMETHOXY PIPERIDINE DERIVATIVES MERRELL PHARMACEUTICALS INC. (US) 1995-01-05 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20010000038-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives HRH1, HRH3, HRH4 MAPT 4683/4885KMT2A 1588/4885KCNN4 390/4885
US-20010020114-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives HRH1, HRH3, HRH4 MAPT 4467/4885KMT2A 2070/4885KCNN4 842/4885
US-20010021791-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives HRH1, HRH3, HRH4 MAPT 4700/4885KMT2A 2014/4885KCNN4 656/4885
US-20010031895-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives HRH1, HRH4, HRH3 MAPT 4723/4885KMT2A 2187/4885KCNN4 730/4885
US-20010018521-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives HRH1, HRH3, HRH4 MAPT 4664/4885KMT2A 2055/4885KCNN4 530/4885
US-20020007085-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives HRH1, HRH3, HRH4 MAPT 4724/4885KMT2A 2217/4885KCNN4 647/4885

“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.