Sugi Predict

Sugi Predict / Compounds / Exaprolol

Exaprolol

Exaprolol

SCHEMBL614255

CC(C)NCC(O)COc1ccccc1C1CCCCC1

nearest known ligand 0.90

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 5/20 0.72
▸ CYP2D6 P10635 5/20 0.72
▸ SLC6A4 P31645 5/20 0.72
▸ HTR1A P08908 3/20 0.72
▸ ADRA1A P35348 3/20 0.72
▸ ADRA2A P08913 2/20 0.72
▸ CYP2C9 P11712 2/20 0.72
▸ SLC6A2 P23975 2/20 0.72
▸ OPRM1 P35372 2/20 0.72
▸ DRD3 P35462 2/20 0.72
▸ KCNH2 Q12809 2/20 0.72
▸ USP2 O75604 1/20 0.72
▸ CHRM1 P11229 1/20 0.72
▸ DRD1 P21728 1/20 0.72
▸ TBXA2R P21731 1/20 0.72
▸ PTGS1 P23219 1/20 0.72
▸ ADRB2 P07550 10/20 0.61
▸ ADRB1 P08588 10/20 0.61
▸ ADRB3 P13945 3/20 0.61
▸ HTR2B P41595 3/20 0.57

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
Exaprolol SCHEMBL612844 0.99 CYP1A2 (0.70) CYP1A2CYP2D6SLC6A4HTR1AADRA1A
SCHEMBL30295338 0.99 CYP1A2 (0.73) CYP1A2CYP2D6SLC6A4HTR1AADRA1A
Exaprolol SCHEMBL614256 0.97 CYP1A2 (0.69) CYP1A2CYP2D6SLC6A4HTR1AADRA1A
Procinolol SCHEMBL1254736 0.95 CYP1A2 (0.67) CYP1A2CYP2D6SLC6A4HTR1AADRA1A
Exaprolol SCHEMBL11319783 0.94 CYP1A2 (0.65) CYP1A2CYP2D6SLC6A4HTR1AADRA1A
SCHEMBL7298077 0.88 CYP1A2 (0.64) CYP1A2CYP2D6SLC6A4HTR1AADRA1A
SCHEMBL13148951 0.87 HTR1A (0.75) CYP1A2CYP2D6SLC6A4HTR1AADRA1A
SCHEMBL8891641 0.85 HTR1A (0.98) CYP1A2CYP2D6SLC6A4HTR1AADRA1A
SCHEMBL7289148 0.85 HTR1A (0.68) CYP1A2CYP2D6SLC6A4HTR1AADRA1A
SCHEMBL8891627 0.85 HTR1A (0.68) CYP1A2CYP2D6SLC6A4HTR1AADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10377779-B2 Carbonate prodrugs and methods of using the same ACORDA THERAPEUTICS, INC. (US) 2019-08-13 — — US claimed
US-20180086778-A1 CARBONATE PRODRUGS AND METHODS OF USING THE SAME NEUROGESX, INC. 2018-03-29 — — US claimed
US-9585884-B2 Pyrimidinone inhibitors of lipoprotein-associated phospholipase A2 AUSPEX PHARMACEUTICALS, INC. (US) 2017-03-07 — — US claimed
US-20170002015-A1 CYCLOPROPYL MODULATORS OF P2Y12 RECEPTOR AUSPEX PHARMACEUTICALS INC (US) 2017-01-05 — — US claimed
US-9498481-B2 Cyclopropyl modulators of P2Y12 receptor AUSPEX PHARMACEUTICALS, INC. (US) 2016-11-22 — — US claimed
US-20160193212-A1 CYCLOPROPYL MODULATORS OF P2Y12 RECEPTOR AUSPEX PHARMACEUTICALS INC (US) 2016-07-07 — — US claimed
US-9255104-B2 Cyclopropyl modulators of P2Y12 receptor AUSPEX PHARMACEUTICALS, INC. (US) 2016-02-09 — — US claimed
EP-2961730-A2 METHOD OF MAKING 1-(ACYLOXY)-ALKYL CARBAMATE COMPOUNDS XenoPort, Inc. (US) 2016-01-06 — — EP claimed
US-20150158809-A9 METHOD OF MAKING 1-(ACYLOXY)-ALKYL CARBAMATE COMPOUNDS XENOPORT, INC. (US) 2015-06-11 — — US claimed
US-9016221-B2 Surface topographies for non-toxic bioadhesion control UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2015-04-28 — — US claimed
EP-0625903-A1 TOPICAL ANTIGLAUCOMA COMPOSITIONS COMPRISING CARBONIC ANHYDRASE INHIBITORS AND BETA-BLOCKERS ALCON LABORATORIES, INC. (US) 1994-11-30 — — EP claimed
EP-0429732-B1 Sustained-release compositions containing cation exchange resins and polycarboxylic polymers ALCON LAB INC (US) 1994-03-16 — — EP claimed
WO-1994001096-A1 METHODS AND PRODUCTS FOR TREATING PRESBYOPIA TELOR OPHTHALMIC PHARMACEUTICALS, INC. (US) 1994-01-20 — — WO claimed
WO-1993016701-A2 TOPICAL ANTIGLAUCOMA COMPOSITIONS COMPRISING CARBONIC ANHYDRASE INHIBITORS AND BETA-BLOCKERS ALCON LABORATORIES, INC. (US) 1993-09-02 — — WO claimed
EP-0525475-A2 A beta-blocker and carbachol containing antiglaucoma composition ALCON LABORATORIES, INC. (US) 1993-02-03 — — EP claimed
US-5093126-A Sustained release, beta blockers ALCON LABORATORIES, INC. (US) 1992-03-03 — — US claimed
EP-0429732-A1 Sustained-release compositions containing cation exchange resins and polycarboxylic polymers ALCON LABORATORIES, INC. (US) 1991-06-05 — — EP claimed
US-4303637-A Medication indicated for ocular hypertension ALZA CORPORATION (US) 1981-12-01 — — US claimed
EP-0037622-A2 Drug delivery insert for controlled ocular therapy ALZA CORPORATION (US) 1981-10-14 — — EP claimed
US-4281654-A Drug delivery system for controlled ocular therapy ALZA CORPORATION (US) 1981-08-04 — — US claimed

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-20170002015-A1 CYCLOPROPYL MODULATORS OF P2Y12 RECEPTOR P2RY12, P2RY11, P2RY2 CYP1A2 1578/4885CYP2D6 1219/4885SLC6A4 822/4885
US-20160193212-A1 CYCLOPROPYL MODULATORS OF P2Y12 RECEPTOR P2RY12, P2RY11, P2RY2 CYP1A2 1578/4885CYP2D6 1219/4885SLC6A4 822/4885
US-20150158809-A9 METHOD OF MAKING 1-(ACYLOXY)-ALKYL CARBAMATE COMPOUNDS CPS1, CA7, NAAA CYP1A2 311/4885CYP2D6 124/4885SLC6A4 1081/4885
US-10377779-B2 Carbonate prodrugs and methods of using the same CA6, CA7, CA4 CYP1A2 295/4885CYP2D6 180/4885SLC6A4 1366/4885
US-20180086778-A1 CARBONATE PRODRUGS AND METHODS OF USING THE SAME CA6, CA7, CA4 CYP1A2 295/4885CYP2D6 180/4885SLC6A4 1366/4885

“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.