SCHEMBL1743575

SCHEMBL1743575

CNC1CCC(OC(=O)C(O)(c2cccs2)c2cccs2)CC1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 20/20 0.59
CHRM2 P08172 14/20 0.59
CHRM1 P11229 12/20 0.57
CHRM4 P08173 2/20 0.57
CHRM5 P08912 2/20 0.57
ADRA1A P35348 2/20 0.57
HRH1 P35367 2/20 0.57
OPRK1 P41145 2/20 0.57
KCNH2 Q12809 2/20 0.57
TSPO P30536 1/20 0.57
PDE3A Q14432 1/20 0.57
TMEM97 Q5BJF2 1/20 0.57
ADRA2A P08913 1/20 0.43
ADRA2C P18825 1/20 0.43
TACR1 P25103 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
SCHEMBL1743574 1.00 CHRM3 (0.59) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL25907784 0.92 CHRM3 (0.52) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL25906984 0.92 CHRM3 (0.52) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL25907736 0.92 CHRM3 (0.52) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL25907953 0.91 CHRM3 (0.51) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL25908838 0.91 CHRM3 (0.51) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL25908874 0.91 CHRM3 (0.51) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL25907879 0.91 CHRM3 (0.51) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL25908478 0.89 CHRM3 (0.49) CHRM3CHRM2CHRM1CHRM4CHRM5
SCHEMBL25908533 0.89 CHRM3 (0.49) CHRM3CHRM2CHRM1CHRM4CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10300072-B2 Cyclohexylamine derivatives having β2 adrenergic agonist and M3 muscarinic antagonist activities ALMIRALL, S.A. (ES) 2019-05-28 US claimed
US-20180015097-A1 CYCLOHEXYLAMINE DERIVATIVES HAVING ß2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES ALMIRALL, S.A. (ES) 2018-01-18 US claimed
US-10300072-B2 Cyclohexylamine derivatives having β2 adrenergic agonist and M3 muscarinic antagonist activities ALMIRALL, S.A. (ES) 2019-05-28 US disclosed
US-20180015097-A1 CYCLOHEXYLAMINE DERIVATIVES HAVING ß2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES ALMIRALL, S.A. (ES) 2018-01-18 US disclosed
US-9757383-B2 Cyclohexylamine derivatives having β2 adrenergic agonist and M3 muscarinic antagonist activities ALMIRALL, S.A. (ES) 2017-09-12 US disclosed
US-9643961-B2 Cyclohexylamine derivatives having β2 adrenergic antagonist and M3 muscarinic antagonist activities ALMIRALL, S.A. (ES) 2017-05-09 US disclosed
US-9549934-B2 Cyclohexylamine derivatives having β2 adrenergic agonist and M3 muscarinic antagonist activities ALMIRALL, S.A. (ES) 2017-01-24 US disclosed
EP-2569308-B1 NEW CYCLOHEXYLAMINE DERIVATIVES HAVING BETA2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES ALMIRALL SA (ES) 2016-11-23 EP disclosed
US-20160264557-A1 NEW CYCLOHEXYLAMINE DERIVATIVES HAVING ß2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES ALMIRALL, S.A. (ES) 2016-09-15 US disclosed
US-20160200718-A1 NEW CYCLOHEXYLAMINE DERIVATIVES HAVING ß2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES ALMIRALL, S.A. (ES) 2016-07-14 US disclosed
EP-2776425-B1 NEW CYCLOHEXYLAMINE DERIVATIVES HAVING BETA2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES ALMIRALL SA (ES) 2016-06-01 EP disclosed
WO-2013068552-A1 NEW CYCLOHEXYLAMINE DERIVATIVES HAVING β2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES ALMIRALL, S.A. (ES) 2013-05-16 WO disclosed
WO-2013068554-A1 NEW CYCLOHEXYLAMINE DERIVATIVES HAVING BETA 2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES ALMIRALL, S.A. (ES) 2013-05-16 WO disclosed
EP-2592078-A1 New cyclohexylamine derivatives having beta2 adrenergic agonist and M3 muscarinic antagonist activities Almirall, S.A. (ES) 2013-05-15 EP disclosed
EP-2592077-A1 New cyclohexylamine derivatives having beta2 adrenergic agonist and M3 muscarinic antagonist activities Almirall, S.A. (ES) 2013-05-15 EP disclosed
EP-2569308-A1 NEW CYCLOHEXYLAMINE DERIVATIVES HAVING 2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES Almirall S.A. (ES) 2013-03-20 EP disclosed
US-20130053359-A1 NEW CYCLOHEXYLAMINE DERIVATIVES HAVING beta2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES PRAT QUINONES MARIA (ES) 2013-02-28 US disclosed
WO-2011141180-A1 NEW CYCLOHEXYLAMINE DERIVATIVES HAVING β2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES ALMIRALL, S.A. (ES) 2011-11-17 WO disclosed
EP-2386555-A1 New cyclohexylamine derivatives having beta2 adrenergic agonist and m3 muscarinic antagonist activities Almirall, S.A. (ES) 2011-11-16 EP disclosed
US-20110254356-A1 Wheel Bearing Apparatus Incorporated With A Wheel Speed Detecting Apparatus NTN CORPORATION (JP) 2011-10-20 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 (5 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-20160264557-A1 NEW CYCLOHEXYLAMINE DERIVATIVES HAVING ß2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES ADRB2, CHRM2, CHRM3 CHRM3 3/4885CHRM2 2/4885CHRM1 9/4885
US-10300072-B2 Cyclohexylamine derivatives having β2 adrenergic agonist and M3 muscarinic antagonist activities ADRB2, CHRM3, CHRM2 CHRM3 2/4885CHRM2 3/4885CHRM1 8/4885
US-20130053359-A1 NEW CYCLOHEXYLAMINE DERIVATIVES HAVING beta2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES ADRB2, CHRM2, CHRM3 CHRM3 3/4885CHRM2 2/4885CHRM1 9/4885
US-20180015097-A1 CYCLOHEXYLAMINE DERIVATIVES HAVING ß2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES ADRB2, CHRM2, CHRM3 CHRM3 3/4885CHRM2 2/4885CHRM1 7/4885
US-20160200718-A1 NEW CYCLOHEXYLAMINE DERIVATIVES HAVING ß2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES ADRB2, CHRM2, CHRM3 CHRM3 3/4885CHRM2 2/4885CHRM1 9/4885

“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.