Cyclohexane

Cyclohexane

SCHEMBL1898523

C1CCCCC1.c1ccncc1

nearest known ligand 0.75

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.75
NAPRT Q6XQN6 1/20 0.75
TDP1 Q9NUW8 1/20 0.75
NOTUM Q6P988 1/20 0.35
CYP11B2 P19099 1/20 0.33
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30

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
Pyridine SCHEMBL28151034 1.00 TSHR (0.75) TSHRNAPRTTDP1NOTUMCYP11B2
Pyridine SCHEMBL6114733 1.00 TSHR (0.75) TSHRNAPRTTDP1NOTUMCYP11B2
Pyridine SCHEMBL5661698 1.00
Pyridine SCHEMBL6952793 1.00 TSHR (0.75) TSHRNAPRTTDP1NOTUMCYP11B2
Cyclooctane SCHEMBL9180329 1.00 TSHR (0.75) TSHRNAPRTTDP1NOTUMCYP11B2
Pyridine SCHEMBL28150051 1.00 TSHR (0.75) TSHRNAPRTTDP1NOTUMCYP11B2
Cycloheptane SCHEMBL9426206 1.00 TSHR (0.75) TSHRNAPRTTDP1NOTUMCYP11B2
Pyridine SCHEMBL11129549 0.96 TSHR (0.69) TSHRNAPRTTDP1NOTUMCYP11B2
Pyridine SCHEMBL8857956 0.96 TSHR (0.69) TSHRNAPRTTDP1NOTUMCYP11B2
Pyridine SCHEMBL29290888 0.96 TSHR (0.69) TSHRNAPRTTDP1NOTUMCYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7485663-B2 Carvedilol TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-02-03 US claimed
US-20040225132-A1 Carvedilol HILDESHEIM JEAN (IL) 2004-11-11 US claimed
US-20020143045-A1 Carvedilol TEVA PHARMACEUTICALS USA, INC. 2002-10-03 US claimed
CN-106535865-B Lactone-containing compositions for malodor elimination 高砂香料工业株式会社 2020-06-23 CN disclosed
WO-2019182015-A1 ALGINIC ACID DERIVATIVE BONDED TO NONSTEROIDAL ANTI-INFLAMMATORY COMPOUND 持田製薬株式会社 2019-09-26 WO disclosed
US-8716472-B2 Tripodal cyclohexane derivatives and their use as carbohydrate receptors UNIVERSITY OF ROCHESTER (US) 2014-05-06 US disclosed
WO-2011051975-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF PURE EPROSARTANAND ITS PHARMACEUTICAL ACCEPTABLE SALTS MATRIX LABORATORIES LTD (IN) 2011-05-05 WO disclosed
US-20110054186-A1 PROCESS FOR EPROSARTAN INTERMEDIATE HETERO RESEARCH FOUNDATION (IN) 2011-03-03 US disclosed
EP-2257540-A2 IMPROVED PROCESS FOR EPROSARTAN INTERMEDIATE Hetero Research Foundation (IN) 2010-12-08 EP disclosed
US-20100137613-A1 PROCESS FOR EPROSARTAN HETERO DRUGS LIMITED (IN) 2010-06-03 US disclosed
WO-2010023688-A2 AN IMPROVED PROCESS FOR THE PREPARATION OF EPROSARTAN MATRIX LABORATORIES LIMITED (IN) 2010-03-04 WO disclosed
US-6699997-B2 REACTING 4-(OXIRAN-2-YLMETHOXY)-9H- CARBAZOLE WITH 2-(2-METHOXYPHENOXY)ETHYLAMINE TO PRODUCE CARVEDILOL TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2004-03-02 US disclosed
US-20020143045-A1 Carvedilol TEVA PHARMACEUTICALS USA, INC. 2002-10-03 US disclosed
EP-0970073-A4 PROCESS FOR PREPARING EPROSARTAN SMITHKLINE BEECHAM CORP (US) 2001-01-24 EP disclosed
US-6172237-B1 Process for preparing eprosartan SMITHKLINE BEECHAM CORPORATION 2001-01-09 US disclosed
EP-0970073-A1 PROCESS FOR PREPARING EPROSARTAN SMITHKLINE BEECHAM CORPORATION (US) 2000-01-12 EP disclosed
WO-1998035963-A1 PROCESS FOR PREPARING EPROSARTAN SMITHKLINE BEECHAM CORPORATION (US) 1998-08-20 WO disclosed
US-5101067-A Chemical intermediates for pyridinedicarboxylic acid esters, herbicides WACKER-CHEMIE GMBH (DE) 1992-03-31 US disclosed
US-5008392-A Reacting 2,3-dihalomaleic acid esters with ammonia or salts, reacting product with alpha, B-unsaturated aldehydes or ketones WACKER-CHEMIE GMBH (DE) 1991-04-16 US disclosed
EP-0057577-B1 METHOD FOR THE BENEFICIATION, LIQUEFACTION AND RECOVERY OF COAL AND OTHER SOLID CARBONACEOUS MATERIALS AND BENEFICIATED COAL PRODUCTS THE STANDARD OIL COMPANY (US) 1986-05-07 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 (4 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-20110054186-A1 PROCESS FOR EPROSARTAN INTERMEDIATE PTGER1, PTGER4, PDGFRA TSHR 226/4885NAPRT 1261/4885TDP1 2656/4885
US-20100137613-A1 PROCESS FOR EPROSARTAN PTMA, PTGER1, PDGFRA TSHR 453/4885NAPRT 1886/4885TDP1 2935/4885
US-20040225132-A1 Carvedilol REN, ADRB1, ADRB2 TSHR 3165/4885NAPRT 2158/4885TDP1 4010/4885
US-20020143045-A1 Carvedilol REN, ADRB1, ADRB2 TSHR 3165/4885NAPRT 2158/4885TDP1 4010/4885

“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.