SCHEMBL3673731

SCHEMBL3673731

CC(C)(C#N)c1ccc(C(=O)C2CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
CYP2D6 P10635 1/20 0.42
HSD11B1 P28845 1/20 0.40
SRD5A2 P31213 1/20 0.40
MGLL Q99685 1/20 0.40
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
MAPT P10636 1/20 0.39
BRAF P15056 1/20 0.38
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL11057658 0.82 MEN1 (0.63) MEN1KMT2ARAB9ANPC1CYP2D6
SCHEMBL3674393 0.82 RAB9A (0.51) MEN1KMT2ARAB9ANPC1CYP2D6
SCHEMBL17949767 0.81 BRAF (0.53) MEN1KMT2AHSD11B1MGLLBRAF
SCHEMBL27810241 0.81 MAPT (0.36) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL2925097 0.79 MEN1 (0.49) MEN1KMT2ARAB9ANPC1CYP2D6
SCHEMBL31085462 0.78 MEN1 (0.44) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL104864 0.78 SRD5A2 (0.55) MEN1KMT2ASRD5A2ALDH1A1
SCHEMBL307335 0.78 EPHX2 (0.44) MEN1KMT2ARAB9ASRD5A2MAPT
SCHEMBL1502290 0.77 MEN1 (0.51) MEN1KMT2ARAB9ANPC1CYP2D6
SCHEMBL2762846 0.77 MEN1 (0.51) MEN1KMT2ARAB9ANPC1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116157811-A Class dependent inference based on machine learning 国际商业机器公司 2023-05-23 CN disclosed
CN-109071438-B Process for preparing fexofenadine and intermediates used therein 赛诺菲-安万特德国有限公司 2023-02-21 CN disclosed
CN-107428678-B Process for the preparation of 2- [4- (cyclopropanecarbonyl) phenyl ] -2-methyl-propionitrile 赛诺菲-安万特德国有限公司 2021-01-01 CN disclosed
CN-107428678-B Process for the preparation of 2- [4- (cyclopropanecarbonyl) phenyl ] -2-methyl-propionitrile 赛诺菲-安万特德国有限公司 2021-01-01 CN disclosed
CN-107428678-B Process for the preparation of 2- [4- (cyclopropanecarbonyl) phenyl ] -2-methyl-propionitrile 赛诺菲-安万特德国有限公司 2021-01-01 CN disclosed
US-10696633-B2 Process for the preparation of fexofenadine and of intermediates used therein SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2020-06-30 US disclosed
US-10696633-B2 Process for the preparation of fexofenadine and of intermediates used therein SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2020-06-30 US disclosed
EP-3365327-B1 PROCESS FOR THE PREPARATION OF FEXOFENADINE AND OF INTERMEDIATES USED THEREIN SANOFI AVENTIS DEUTSCHLAND (DE) 2019-11-20 EP disclosed
EP-3365327-B1 PROCESS FOR THE PREPARATION OF FEXOFENADINE AND OF INTERMEDIATES USED THEREIN SANOFI AVENTIS DEUTSCHLAND (DE) 2019-11-20 EP disclosed
US-10336698-B2 Process for the production of 2-[4-(cyclopropanecarbonyl)phenyl]-2-methyl-propanenitrile SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2019-07-02 US disclosed
US-20010021791-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives MERRELL PHARMACEUTICALS INC. 2001-09-13 US disclosed
US-20010020114-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives MERRELL PHARMACEUTICALS INC. 2001-09-06 US disclosed
US-20010018521-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives MERRELL PHARMACEUTICALS INC. 2001-08-30 US disclosed
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 disclosed
US-20010000038-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives CHATTEM INC. 2001-03-15 US disclosed
CN-1274711-A New intermediate for preparation of anti-histamine piperidine derivatives MERRELL DOW PHARMA (US) 2000-11-29 CN disclosed
US-6147216-A Intermediates useful for the preparation of antihistaminic piperidine derivatives MERRELL PHARMACEUTICALS INC. (US) 2000-11-14 US disclosed
CN-1128987-A Novel intermediates for the preparation of antihistaminic piperidine derivatives MERRELL DOW PHARMA (US) 1996-08-14 CN disclosed
EP-0705245-A1 NOVEL INTERMEDIATES FOR THE PREPARATION OF ANTIHISTAMINIC 4-DIPHENYLMETHYL/DIPHENYLMETHOXY PIPERIDINE DERIVATIVES MERRELL PHARMACEUTICALS INC. (US) 1996-04-10 EP disclosed
WO-1995000480-A1 NOVEL INTERMEDIATES FOR THE PREPARATION OF ANTIHISTAMINIC 4-DIPHENYLMETHYL/DIPHENYLMETHOXY PIPERIDINE DERIVATIVES MERRELL PHARMACEUTICALS INC. (US) 1995-01-05 WO 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 (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 MEN1 2722/4885KMT2A 1588/4885RAB9A 2426/4885
US-20010020114-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives HRH1, HRH3, HRH4 MEN1 2716/4885KMT2A 2070/4885RAB9A 1845/4885
US-10336698-B2 Process for the production of 2-[4-(cyclopropanecarbonyl)phenyl]-2-methyl-propanenitrile CYP4B1, CYP3A4, CYP4F2 MEN1 2615/4885KMT2A 1437/4885RAB9A 3549/4885
US-20010021791-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives HRH1, HRH3, HRH4 MEN1 2111/4885KMT2A 2014/4885RAB9A 2472/4885
US-20010018521-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives HRH1, HRH3, HRH4 MEN1 2708/4885KMT2A 2055/4885RAB9A 2272/4885
US-10696633-B2 Process for the preparation of fexofenadine and of intermediates used therein CYP4F2, CYP4F3, NISCH MEN1 2626/4885KMT2A 2418/4885RAB9A 2100/4885

“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.