SCHEMBL14940388

SCHEMBL14940388

CS(=O)(=O)OCCCn1c(=O)oc2cc(C=O)ccc21

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ TSHR P16473 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ L3MBTL1 Q9Y468 4/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ MAPT P10636 4/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ TP53 P04637 2/20 0.40
▸ SIGMAR1 Q99720 2/20 0.40
▸ APEX1 P27695 1/20 0.40
▸ THRB P10828 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ LMNA P02545 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
SCHEMBL14940281 0.97 ALDH1A1 (0.42) SMN1; SMN2TSHRRAB9AL3MBTL1KMT2A
SCHEMBL16145606 0.80 DUT (0.42) SMN1; SMN2TSHRRAB9AL3MBTL1KMT2A
SCHEMBL14940639 0.79 ALDH1A1 (0.47) SMN1; SMN2TSHRRAB9AALDH1A1NPSR1
SCHEMBL14931625 0.79 ALDH1A1 (0.47) SMN1; SMN2TSHRRAB9AALDH1A1NPSR1
SCHEMBL14939973 0.78 ALDH1A1 (0.49) TSHRALDH1A1NPSR1HPGDSIGMAR1
SCHEMBL14940513 0.77 L3MBTL1 (0.43) SMN1; SMN2TSHRRAB9AL3MBTL1HPGD
SCHEMBL15823228 0.77 ALDH1A1 (0.44) SMN1; SMN2TSHRRAB9AALDH1A1NPSR1
SCHEMBL15822980 0.74 SIGMAR1 (0.42) SMN1; SMN2TSHRKMT2AALDH1A1NPSR1
SCHEMBL7017364 0.72 POLB (0.60) SMN1; SMN2TSHRRAB9AL3MBTL1KMT2A
SCHEMBL1027286 0.71 ALDH1A1 (0.50) TSHRKMT2AALDH1A1HPGDMEN1

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-2776426-A1 NEW CYCLOHEXYLAMINE DERIVATIVES HAVING BETA 2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES Almirall, S.A. (ES) 2014-09-17 — — EP 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
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
WO-2013068552-A1 NEW CYCLOHEXYLAMINE DERIVATIVES HAVING β2 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 SMN1; SMN2 2576/4885TSHR 183/4885RAB9A 3333/4885
US-20150306089-A9 NEW CYCLOHEXYLAMINE DERIVATIVES HAVING beta2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES ADRB2, CHRM2, CHRM3 SMN1; SMN2 2642/4885TSHR 261/4885RAB9A 3434/4885
US-20180015097-A1 CYCLOHEXYLAMINE DERIVATIVES HAVING ß2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES ADRB2, CHRM2, CHRM3 SMN1; SMN2 2555/4885TSHR 236/4885RAB9A 3522/4885
US-20160143915-A1 NEW CYCLOHEXYLAMINE DERIVATIVES HAVING ß2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES ADRB2, CHRM2, CHRM3 SMN1; SMN2 2724/4885TSHR 240/4885RAB9A 3433/4885
US-20160200718-A1 NEW CYCLOHEXYLAMINE DERIVATIVES HAVING ß2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES ADRB2, CHRM2, CHRM3 SMN1; SMN2 2724/4885TSHR 240/4885RAB9A 3433/4885
US-20140378421-A1 NEW CYCLOHEXYLAMINE DERIVATIVES HAVING beta2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES ADRB2, CHRM2, CHRM3 SMN1; SMN2 2642/4885TSHR 261/4885RAB9A 3434/4885
US-20140303127-A1 NEW CYCLOHEXYLAMINE DERIVATIVES HAVING BETA 2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES ADRB2, CHRM2, CHRM3 SMN1; SMN2 2813/4885TSHR 256/4885RAB9A 3325/4885

“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.

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