SCHEMBL257216

SCHEMBL257216

ON=C1CCC(c2ccccc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.69
KDM4E B2RXH2 1/20 0.53
GAA P10253 4/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
SLC18A3 Q16572 2/20 0.47
SIGMAR1 Q99720 1/20 0.47
ALDH1A1 P00352 4/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
GRIN2B Q13224 2/20 0.42
SRD5A1 P18405 1/20 0.41
AKR1C3 P42330 1/20 0.40
AKR1C1 Q04828 1/20 0.40
MAP1LC3B Q9GZQ8 1/20 0.40

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
Acetic Acid SCHEMBL11840477 0.91 ESR2 (0.59) ESR2KDM4EGAAMEN1KMT2A
SCHEMBL3322034 0.88 ESR2 (0.55) ESR2KDM4EGAAMEN1KMT2A
SCHEMBL15541691 0.88 ESR2 (0.55) ESR2KDM4EGAAMEN1KMT2A
SCHEMBL15541693 0.88 ESR2 (0.55) ESR2KDM4EGAAMEN1KMT2A
SCHEMBL3322032 0.88 ESR2 (0.55) ESR2KDM4EGAAMEN1KMT2A
SCHEMBL18246497 0.82 ESR2 (1.00) ESR2
SCHEMBL1570402 0.78 MAPT (0.48) ESR2GAAMEN1KMT2ASLC18A3
SCHEMBL1570533 0.77 ESR2 (0.54) ESR2KDM4EGAAMEN1KMT2A
SCHEMBL25531651 0.77 ESR2 (0.66) ESR2KDM4EGAAMEN1KMT2A
SCHEMBL1570534 0.77 ESR2 (0.54) ESR2KDM4EGAAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112574079-A 2, 2-difluoro-N- (2-thioether cyclohexyl-1-alkene-1-base) acetamide and derivative and synthesis method thereof 湖南工程学院 2021-03-30 CN claimed
CN-108840824-A The preparation process of 4- phenyl cycloheptylamine 遵义医学院附属医院 2018-11-20 CN disclosed
CN-108840824-A The preparation process of 4- phenyl cycloheptylamine 遵义医学院附属医院 2018-11-20 CN disclosed
US-10011559-B2 Preparation of chiral amides and amines SUNOVION PHARMACEUTICALS INC. (US) 2018-07-03 US disclosed
US-10011559-B2 Preparation of chiral amides and amines SUNOVION PHARMACEUTICALS INC. (US) 2018-07-03 US disclosed
US-20180016224-A1 PREPARATION OF CHIRAL AMIDES AND AMINES SUNOVION PHARMACEUTICALS INC. 2018-01-18 US disclosed
US-20180016224-A1 PREPARATION OF CHIRAL AMIDES AND AMINES SUNOVION PHARMACEUTICALS INC. 2018-01-18 US disclosed
EP-2816024-B1 Chiral amines SUNOVION PHARMACEUTICALS INC (US) 2017-08-02 EP disclosed
EP-3144303-A1 6-SUBSTITUTED PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES Array Biopharma, Inc. (US) 2017-03-22 EP disclosed
US-9556139-B2 6-substituted phenoxychroman carboxylic acid derivatives ARRAY BIOPHARMA INC. (US) 2017-01-31 US disclosed
US-6355634-B1 OXIME DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2002-03-12 US disclosed
WO-2002018327-A2 GUANIDINOBENZAMIDES AS MC4-R AGONISTS CHIRON CORPORATION (US) 2002-03-07 WO disclosed
WO-2001044188-A1 HYDROXAMIC ACID DERIVATIVES AS MATRIX METALLOPROTEINASE (MMP) INHIBITORS DARWIN DISCOVERY LIMITED (GB) 2001-06-21 WO disclosed
EP-0893434-A1 Intermediates for the preparation of oximethers Novartis AG (CH) 1999-01-27 EP disclosed
EP-0703215-A1 Aromatic compounds CIBA-GEIGY AG (CH) 1996-03-27 EP disclosed
EP-0447828-B1 4-(4-Tert-Butylphenyl)cyclohexylamines and fungicides containing them BASF AG (DE) 1994-05-04 EP disclosed
US-5290806-A 4-(4-tert-butylphenyl) cyclohexylamines, and fungicides containing same BASF AKTIENGESELLSCHAFT (DE) 1994-03-01 US disclosed
EP-0460575-A1 Aromatic compounds CIBA-GEIGY AG (CH) 1991-12-11 EP disclosed
EP-0447828-A1 4-(4-Tert-Butylphenyl)cyclohexylamines and fungicides containing them BASF Aktiengesellschaft (DE) 1991-09-25 EP disclosed
US-3960961-A 4'-Fluoro-4-{[4-(phenyl)cyclohexyl]amino}butyrophenones and the salts thereof THE UPJOHN COMPANY (US) 1976-06-01 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 (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-10011559-B2 Preparation of chiral amides and amines PNMT, ALKBH5, ALKBH2 ESR2 568/4885KDM4E 599/4885GAA 2043/4885
US-20180016224-A1 PREPARATION OF CHIRAL AMIDES AND AMINES PNMT, ALKBH2, ALKBH5 ESR2 626/4885KDM4E 466/4885GAA 1978/4885

“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.