SCHEMBL132095

SCHEMBL132095

C=CCOc1ccc(CCNC(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.51
BCHE P06276 1/20 0.49
NDUFS8 O00217 1/20 0.48
COXFA4 O00483 1/20 0.48
NDUFAB1 O14561 1/20 0.48
NDUFA1 O15239 1/20 0.48
NDUFS4 O43181 1/20 0.48
NDUFB5 O43674 1/20 0.48
NDUFB3 O43676 1/20 0.48
NDUFC1 O43677 1/20 0.48
NDUFA2 O43678 1/20 0.48
NDUFS5 O43920 1/20 0.48
NDUFS7 O75251 1/20 0.48
NDUFS2 O75306 1/20 0.48
NDUFS6 O75380 1/20 0.48
NDUFB1 O75438 1/20 0.48
NDUFS3 O75489 1/20 0.48
NDUFB6 O95139 1/20 0.48
NDUFA3 O95167 1/20 0.48
NDUFB4 O95168 1/20 0.48

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
SCHEMBL15822904 0.85 KMT2A (0.50) PTPN1NPC1MAPTRAB9AKMT2A
SCHEMBL4146893 0.84 ALDH1A1 (0.58) PTPN1NPC1MAPTRAB9AKMT2A
SCHEMBL15822888 0.83 KDM4E (0.55) BCHEFFAR1NPC1RAB9AALDH1A1
SCHEMBL10426171 0.82 MEN1 (0.71) NPC1MAPTRAB9AKMT2AMEN1
SCHEMBL97962 0.81 CA2 (0.48) POLBNDUFS8COXFA4NDUFAB1NDUFA1
SCHEMBL3686436 0.80 FFAR1 (0.59) FFAR1KMT2AMEN1
SCHEMBL4519919 0.80 MAPT (0.67) POLBPTPN1NPC1MAPTRAB9A
SCHEMBL18740250 0.79 AKR1C3 (0.48) POLBNPC1RAB9AALDH1A1TAAR1
SCHEMBL11077052 0.79 ACACB (0.52) POLBNDUFS8COXFA4NDUFAB1NDUFA1
SCHEMBL23033458 0.78 BCHE (0.68) POLBBCHEKMT2AMEN1TAAR1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2934594-B1 CYCLOHEXYL AND QUINUCLIDINYL CARBAMATE DERIVATIVES HAVING BETA2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES . ALMIRALL SA (ES) 2019-09-04 EP disclosed
CN-105142673-B Novel cyclohexyl and quininuclidinyl carbamate derivatives with beta 2-adrenergic activator and M3 muscarinic antagonists activity 阿尔米雷尔有限公司 2018-01-05 CN disclosed
US-9518050-B2 Cyclohexyl and quinuclidinyl carbamate derivatives having β2 adrenergic agonist and M3 muscarinic antagonist activity ALMIRALL, S.A. (ES) 2016-12-13 US disclosed
CN-105142673-A New cyclohexyl and quinuclidinyl carbamate derivatives having beta2 adrenergic agonist and M3 muscarinic antagonist activity ALMIRALL SA 2015-12-09 CN disclosed
US-20150329535-A1 NEW CYCLOHEXYL AND QUINUCLIDINYL CARBAMATE DERIVATIVES HAVING BETA2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITY ALMIRALL, S.A. (ES) 2015-11-19 US disclosed
EP-2934594-A1 NEW CYCLOHEXYL AND QUINUCLIDINYL CARBAMATE DERIVATIVES HAVING BETA2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITY Almirall, S.A. (ES) 2015-10-28 EP disclosed
WO-2014095920-A1 NEW CYCLOHEXYL AND QUINUCLIDINYL CARBAMATE DERIVATIVES HAVING BETA2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITY ALMIRALL, S.A. (ES) 2014-06-26 WO disclosed
EP-2426121-A1 QUATERNARY AMMONIUM SALT COMPOUND Teijin Pharma Limited (JP) 2012-03-07 EP disclosed
US-20090253739-A1 Amine Derivatives PFIZER INC 2009-10-08 US disclosed
EP-1999107-A2 AMINE DERIVATIVES Pfizer Limited (GB) 2008-12-10 EP disclosed
WO-2007107828-A2 AMINE DERIVATIVES PFIZER LIMITED (GB) 2007-09-27 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 (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-20150329535-A1 NEW CYCLOHEXYL AND QUINUCLIDINYL CARBAMATE DERIVATIVES HAVING BETA2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITY CHRM3, CHRM2, ADRB2 POLB 2859/4885BCHE 249/4885NDUFS8 2587/4885
US-20090253739-A1 Amine Derivatives HNMT, HRH4, CMA1 POLB 1158/4885BCHE 794/4885NDUFS8 357/4885

“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.