Sugi Predict

Sugi Predict / Compounds / Butopamine

Butopamine

Butopamine

SCHEMBL122463

C[C@H](CCc1ccc(O)cc1)NC[C@H](O)c1ccc(O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 12/20 1.00
▸ ADRB3 P13945 6/20 0.60
▸ ADRB1 P08588 4/20 0.60
▸ CYP3A4 P08684 4/20 0.58
▸ MAPK1 P28482 4/20 0.58
▸ ADRA1A P35348 3/20 0.58
▸ NPSR1 Q6W5P4 2/20 0.58
▸ CYP2D6 P10635 2/20 0.58
▸ TSHR P16473 2/20 0.58
▸ HIF1A Q16665 2/20 0.58
▸ SLC6A2 P23975 2/20 0.58
▸ HTR2A P28223 2/20 0.58
▸ OPRM1 P35372 2/20 0.58
▸ SLC6A3 Q01959 2/20 0.58
▸ HSD17B10 Q99714 1/20 0.58
▸ ADORA3 P0DMS8 1/20 0.58
▸ PTGS1 P23219 1/20 0.58
▸ SLC6A4 P31645 1/20 0.58
▸ MC4R P32245 1/20 0.58
▸ MC3R P41968 1/20 0.58

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
Ractopamine SCHEMBL9757702 1.00 ADRB2 (1.00) ADRB2ADRB3ADRB1CYP3A4MAPK1
Ractopamine SCHEMBL10659583 1.00 ADRB2 (1.00) ADRB2ADRB3ADRB1CYP3A4MAPK1
Ractopamine SCHEMBL144797 1.00 ADRB2 (1.00) ADRB2ADRB3ADRB1CYP3A4MAPK1
Ractopamine SCHEMBL350754 0.98 ADRB2 (0.97) ADRB2ADRB3ADRB1CYP3A4MAPK1
Butopamine SCHEMBL11471316 0.98 ADRB2 (0.97) ADRB2ADRB3ADRB1CYP3A4MAPK1
Ractopamine SCHEMBL8851800 0.98 ADRB2 (0.97) ADRB2ADRB3ADRB1CYP3A4MAPK1
Ractopamine SCHEMBL11471317 0.98 ADRB2 (0.97) ADRB2ADRB3ADRB1CYP3A4MAPK1
Butopamine SCHEMBL351104 0.98 ADRB2 (0.97) ADRB2ADRB3ADRB1CYP3A4MAPK1
Ractopamine SCHEMBL8892153 0.98 ADRB2 (0.97) ADRB2ADRB3ADRB1CYP3A4MAPK1
Ractopamine SCHEMBL28884309 0.96 ADRB2 (0.91) ADRB2ADRB3ADRB1CYP3A4MAPK1

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 478 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
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
WO-2014134005-A2 METHOD OF MAKING 1-(ACYLOXY)-ALKYL CARBAMATE COMPOUNDS XENOPORT, INC. (US) 2014-09-04 — — WO claimed
US-20140243544-A1 METHOD OF MAKING 1-(ACYLOXY)-ALKYL CARBAMATE COMPOUNDS XENOPORT, INC. (US) 2014-08-28 — — US claimed
CN-101486668-B Synthesis of acyloxyalkyl carbamate prodrugs and intermediates thereof XENOPORT INC 2014-07-02 — — CN claimed
US-8299291-B2 Methods of synthesizing 1-(acyloxy)-alkyl carbamate prodrugs XENOPORT, INC. (US) 2012-10-30 — — US claimed
US-8268352-B2 Modified release composition for highly soluble drugs TORRENT PHARMACEUTICALS LIMITED (IN) 2012-09-18 — — US claimed
WO-2005115326-A1 TOPICAL SLIMMING PREPARATION AND A COSMETIC CONTAINING A CARNITINE DERIVATIVE SHOWA DENKO K.K. (JP) 2005-12-08 — — WO claimed
US-20050239725-A1 Methods for synthesis of prodrugs from 1-acyl-alkyl derivatives and compositions thereof XENOPORT, INC. 2005-10-27 — — US claimed
US-6927036-B2 Methods for synthesis of prodrugs from 1-acyl-alkyl derivatives and compositions thereof XERO PORT, INC. (US) 2005-08-09 — — US claimed
US-5684018-A Acyloxyisopropyl carbamates as prodrugs for amine drugs MERCK & CO., INC. (US) 1997-11-04 — — US claimed
US-5626854-A XANTHINE OR B-ADRENERGIC STIMULANT KAO CORPORATION (JP) 1997-05-06 — — US claimed
WO-1996018605-A1 ACYLOXYISOPROPYL CARBAMATES AS PRODRUGS FOR AMINE DRUGS MERCK & CO., INC. (US) 1996-06-20 — — WO claimed
US-4992473-A Beta-phenethanolamines ELI LILLY AND COMPANY (US) 1991-02-12 — — US claimed
US-4734437-A PHENETHANOLAMINES ELI LILLY AND COMPANY (US) 1988-03-29 — — US claimed
US-4690951-A B-PHENETHANGLAMINES; FEED EFFICIENCY AND LEANESS ELI LILLY AND COMPANY (US) 1987-09-01 — — US claimed
EP-0007205-A1 Optically active phenethanolamines, their formulations, use and preparation ELI LILLY AND COMPANY (US) 1980-01-23 — — EP 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-20150158809-A9 METHOD OF MAKING 1-(ACYLOXY)-ALKYL CARBAMATE COMPOUNDS CPS1, CA7, NAAA ADRB2 3813/4885ADRB3 3450/4885ADRB1 3375/4885
US-20140243544-A1 METHOD OF MAKING 1-(ACYLOXY)-ALKYL CARBAMATE COMPOUNDS CPS1, CA7, NAAA ADRB2 3813/4885ADRB3 3450/4885ADRB1 3375/4885
US-10377779-B2 Carbonate prodrugs and methods of using the same CA6, CA7, CA4 ADRB2 4334/4885ADRB3 4025/4885ADRB1 4090/4885
US-20180086778-A1 CARBONATE PRODRUGS AND METHODS OF USING THE SAME CA6, CA7, CA4 ADRB2 4334/4885ADRB3 4025/4885ADRB1 4090/4885
US-20050239725-A1 Methods for synthesis of prodrugs from 1-acyl-alkyl derivatives and compositions thereof AADAC, UGT1A1, ABHD5 ADRB2 3189/4885ADRB3 1790/4885ADRB1 1624/4885

“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.