SCHEMBL14718558

SCHEMBL14718558

O=C(O)NC[C@H]1CC[C@H](O)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.55
TDP1 Q9NUW8 1/20 0.52
EPHX1 P07099 3/20 0.41
ALDH1A1 P00352 2/20 0.39
CYP3A4 P08684 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
CA9 Q16790 1/20 0.38
EPHX2 P34913 1/20 0.38
F2 P00734 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
ST14 Q9Y5Y6 1/20 0.38

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
SCHEMBL481633 1.00 CYP2D6 (0.55) CYP2D6TDP1EPHX1ALDH1A1CYP3A4
SCHEMBL217411 0.91
SCHEMBL4396576 0.91 CYP2D6 (0.63) CYP2D6TDP1EPHX1ALDH1A1CYP3A4
SCHEMBL4396572 0.91 CYP2D6 (0.63) CYP2D6TDP1EPHX1ALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL4316280 0.88
SCHEMBL15333740 0.87 CYP2D6 (0.47) CYP2D6TDP1EPHX1ALDH1A1CYP3A4
SCHEMBL15333742 0.87 CYP2D6 (0.47) CYP2D6TDP1EPHX1ALDH1A1CYP3A4
SCHEMBL3648058 0.82 CYP2D6 (0.55) CYP2D6TDP1EPHX1ALDH1A1CYP3A4
SCHEMBL5519295 0.82 CYP2D6 (0.55) CYP2D6TDP1EPHX1ALDH1A1CYP3A4
SCHEMBL1118505 0.82 CYP2D6 (0.55) CYP2D6TDP1EPHX1ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240238425-A1 HSD17B13 Inhibitors and/or Degraders PFIZER INC. (US) 2024-07-18 US disclosed
WO-2024127297-A1 3-FLUORO-4-HYDROXYBENZMIDE-CONTAINING INHIBITORS AND/OR DEGRADERS AND USES THEREOF PFIZER INC. (US) 2024-06-20 WO disclosed
US-20240150334-A1 HSD17B13 INHIBITORS AND/OR DEGRADERS PFIZER INC. (US) 2024-05-09 US disclosed
WO-2024075051-A1 HSD17B13 INHIBITORS AND/OR DEGRADERS PFIZER INC. (US) 2024-04-11 WO disclosed
US-11339128-B2 Substituted 4-amino-5-(cyclohexyloxy)quinoline-3-carboxylic acids as sweet flavor modifiers FIRMENICH INCORPORATED (US) 2022-05-24 US disclosed
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
EP-2569308-B1 NEW CYCLOHEXYLAMINE DERIVATIVES HAVING BETA2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES ALMIRALL SA (ES) 2016-11-23 EP 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
US-20130281415-A9 NEW CYCLOHEXYLAMINE DERIVATIVES HAVING ß2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES ALMIRALL, S.A. (ES) 2013-10-24 US 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
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-2592078-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

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

For each of this compound's patents that has machine-readable text (8 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 CYP2D6 590/4885TDP1 4570/4885EPHX1 2266/4885
US-20240238425-A1 HSD17B13 Inhibitors and/or Degraders HSD17B13, HSD17B3, HSD17B1 CYP2D6 114/4885TDP1 1160/4885EPHX1 590/4885
US-20240150334-A1 HSD17B13 INHIBITORS AND/OR DEGRADERS HSD17B1, HSD17B3, HSD17B13 CYP2D6 151/4885TDP1 1824/4885EPHX1 766/4885
US-11339128-B2 Substituted 4-amino-5-(cyclohexyloxy)quinoline-3-carboxylic acids as sweet flavor modifiers TAS2R5, TAS2R4, TAS2R30 CYP2D6 3513/4885TDP1 4531/4885EPHX1 3634/4885
US-20130281415-A9 NEW CYCLOHEXYLAMINE DERIVATIVES HAVING ß2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES ADRB2, CHRM2, CHRM3 CYP2D6 983/4885TDP1 4317/4885EPHX1 2608/4885
US-20130053359-A1 NEW CYCLOHEXYLAMINE DERIVATIVES HAVING beta2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES ADRB2, CHRM2, CHRM3 CYP2D6 1040/4885TDP1 4355/4885EPHX1 2689/4885
US-20180015097-A1 CYCLOHEXYLAMINE DERIVATIVES HAVING ß2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES ADRB2, CHRM2, CHRM3 CYP2D6 842/4885TDP1 4553/4885EPHX1 2211/4885
US-20140303127-A1 NEW CYCLOHEXYLAMINE DERIVATIVES HAVING BETA 2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES ADRB2, CHRM2, CHRM3 CYP2D6 836/4885TDP1 4569/4885EPHX1 2131/4885

“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.