SCHEMBL14940416

SCHEMBL14940416

BrCCCc1nc(-c2ccc(COC3CCCCO3)cc2)no1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 8/20 0.52
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TSHR P16473 1/20 0.46
RECQL P46063 1/20 0.46
GAA P10253 1/20 0.41
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL14940243 0.75 SIRT2 (0.39) SIRT2RAB9AL3MBTL1MEN1KMT2A
SCHEMBL15633525 0.75 L3MBTL1 (0.49) RAB9AL3MBTL1SMN1; SMN2TSHRMEN1
SCHEMBL5856690 0.75 ALDH1A1 (0.46) SMN1; SMN2TSHRGAAMEN1ALDH1A1
SCHEMBL3999018 0.73 ICAM1 (0.42) RAB9AL3MBTL1MEN1ALDH1A1KMT2A
SCHEMBL15635079 0.71 L3MBTL1 (0.43) RAB9AL3MBTL1SMN1; SMN2TSHRRECQL
SCHEMBL4079719 0.70 ICAM1 (0.42) RAB9AL3MBTL1SMN1; SMN2MEN1ALDH1A1
SCHEMBL2884836 0.70 ICAM1 (0.42) RAB9AL3MBTL1SMN1; SMN2MEN1ALDH1A1
SCHEMBL28869644 0.69 SIRT2 (0.75) SIRT2RAB9AL3MBTL1SMN1; SMN2
SCHEMBL4317051 0.69 ICAM1 (0.45) RAB9AL3MBTL1MEN1ALDH1A1KMT2A
SCHEMBL14650386 0.68 ICAM1 (0.39) RAB9AL3MBTL1MEN1KMT2A

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 15 patents. 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 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-9549934-B2 Cyclohexylamine derivatives having β2 adrenergic agonist and M3 muscarinic antagonist activities ALMIRALL, S.A. (ES) 2017-01-24 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
US-20160143915-A1 NEW CYCLOHEXYLAMINE DERIVATIVES HAVING ß2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES ALMIRALL, S.A. (ES) 2016-05-26 US disclosed
US-9233108-B2 Cyclohexylamine derivatives having β2 adrenergic agonist and M3 muscarinic antagonist activities ALMIRALL, S.A. (ES) 2016-01-12 US disclosed
US-20150306089-A9 NEW CYCLOHEXYLAMINE DERIVATIVES HAVING beta2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES ALMIRALL, S.A. (ES) 2015-10-29 US disclosed
US-20140378421-A1 NEW CYCLOHEXYLAMINE DERIVATIVES HAVING beta2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES ALMIRALL SA (ES) 2014-12-25 US disclosed
US-20140303127-A1 NEW CYCLOHEXYLAMINE DERIVATIVES HAVING BETA 2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES ALMIRALL SA (ES) 2014-10-09 US disclosed
EP-2776425-A1 NEW CYCLOHEXYLAMINE DERIVATIVES HAVING BETA2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES Almirall, S.A. (ES) 2014-09-17 EP disclosed
EP-2776426-A1 NEW CYCLOHEXYLAMINE DERIVATIVES HAVING BETA 2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES Almirall, S.A. (ES) 2014-09-17 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-10300072-B2 Cyclohexylamine derivatives having β2 adrenergic agonist and M3 muscarinic antagonist activities ADRB2, CHRM3, CHRM2 SIRT2 782/4885RAB9A 3333/4885L3MBTL1 2790/4885
US-20150306089-A9 NEW CYCLOHEXYLAMINE DERIVATIVES HAVING beta2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES ADRB2, CHRM2, CHRM3 SIRT2 760/4885RAB9A 3434/4885L3MBTL1 2827/4885
US-20180015097-A1 CYCLOHEXYLAMINE DERIVATIVES HAVING ß2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES ADRB2, CHRM2, CHRM3 SIRT2 717/4885RAB9A 3522/4885L3MBTL1 2559/4885
US-20160143915-A1 NEW CYCLOHEXYLAMINE DERIVATIVES HAVING ß2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES ADRB2, CHRM2, CHRM3 SIRT2 808/4885RAB9A 3433/4885L3MBTL1 2827/4885
US-20160200718-A1 NEW CYCLOHEXYLAMINE DERIVATIVES HAVING ß2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES ADRB2, CHRM2, CHRM3 SIRT2 808/4885RAB9A 3433/4885L3MBTL1 2827/4885
US-20140378421-A1 NEW CYCLOHEXYLAMINE DERIVATIVES HAVING beta2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES ADRB2, CHRM2, CHRM3 SIRT2 760/4885RAB9A 3434/4885L3MBTL1 2827/4885
US-20140303127-A1 NEW CYCLOHEXYLAMINE DERIVATIVES HAVING BETA 2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES ADRB2, CHRM2, CHRM3 SIRT2 872/4885RAB9A 3325/4885L3MBTL1 2745/4885

“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.