SCHEMBL336019

SCHEMBL336019

COc1ccc(C(O)CN)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.65
ADRA2A P08913 2/20 0.58
ADRA1A P35348 2/20 0.58
TAAR1 Q96RJ0 2/20 0.57
NFKB1 P19838 2/20 0.57
HTR3A P46098 1/20 0.57
TSHR P16473 1/20 0.57
HIF1A Q16665 1/20 0.57
APEX1 P27695 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
KDM4E B2RXH2 1/20 0.55
ALOX15 P16050 1/20 0.55
BLM P54132 2/20 0.54
PMP22 Q01453 1/20 0.54
MAPT P10636 2/20 0.51
ALDH1A1 P00352 1/20 0.51
SLC6A2 P23975 2/20 0.50
SLC6A4 P31645 2/20 0.50
SLC6A3 Q01959 1/20 0.50
CYP1A2 P05177 1/20 0.48

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
SCHEMBL9054504 1.00 AOC3 (0.65) AOC3ADRA2AADRA1ATAAR1NFKB1
SCHEMBL7152554 1.00 AOC3 (0.65) AOC3ADRA2AADRA1ATAAR1NFKB1
Hydrochloric Acid SCHEMBL27911674 0.98 AOC3 (0.62) AOC3ADRA2AADRA1ATAAR1NFKB1
Acetic Acid SCHEMBL10672569 0.91 AOC3 (0.56) AOC3ADRA2AADRA1ATAAR1NFKB1
SCHEMBL6983701 0.84 AOC3 (0.61) AOC3ADRA2AADRA1ATAAR1MAPT
SCHEMBL9298171 0.84 AOC3 (0.61) AOC3ADRA2AADRA1ATAAR1MAPT
SCHEMBL327629 0.83 AOC3 (0.63) AOC3TSHRTDP1MAPTALDH1A1
Hydrochloric Acid SCHEMBL6983699 0.82 AOC3 (0.59) AOC3ADRA2AADRA1ATAAR1MAPT
SCHEMBL4074768 0.82 TAAR1 (0.80) ADRA2AADRA1ATAAR1NFKB1HTR3A
SCHEMBL17660055 0.81 AOC3 (0.61) AOC3TSHRTDP1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109180515-B Synthetic method of N- [ 2-hydroxy-2- (4-methoxyphenyl) ethyl ] cinnamamide 苏利制药科技江阴有限公司 2021-04-06 CN claimed
CN-109180515-A A kind of synthetic method of N- [2- hydroxyl -2- (4- methoxyphenyl) ethyl] cinnamamide 苏利制药科技江阴有限公司 2019-01-11 CN claimed
US-20220106327-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-07 US disclosed
CN-109734643-B Method for synthesizing pyrroline compound by catalyzing amino alcohol and enol with iron 陕西师范大学 2021-05-14 CN disclosed
CN-109180515-B Synthetic method of N- [ 2-hydroxy-2- (4-methoxyphenyl) ethyl ] cinnamamide 苏利制药科技江阴有限公司 2021-04-06 CN disclosed
CN-109734643-A The method that iron catalytic amino alcohol synthesizes pyrrolines with enol 陕西师范大学 2019-05-10 CN disclosed
CN-109180515-A A kind of synthetic method of N- [2- hydroxyl -2- (4- methoxyphenyl) ethyl] cinnamamide 苏利制药科技江阴有限公司 2019-01-11 CN disclosed
US-20160340305-A1 DIRECT STEREOSPECIFIC SYNTHESIS OF UNPROTECTED AZIRIDINES FROM OLEFINS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-11-24 US disclosed
EP-1373167-B1 SOLID PHASE SYNTHESIS SUPPORTS AND METHODS 3M INNOVATIVE PROPERTIES CO (US) 2015-12-09 EP disclosed
EP-2435019-B1 DODECA-2E,4E-DIENE AMIDES AND THEIR USE AS MEDICAMENTS AND COSMETICS WOLFF AUGUST GMBH & CO KG ARZNEIMITTEL DR (DE) 2015-09-23 EP disclosed
US-20130289083-A1 IDO Inhibitors NEWLINK GENETICS CORPORATION 2013-10-31 US disclosed
US-5128369-A Antiallergens, bronchodilator agents KYOWA HAKKO KOGYO CO., LTD. (JP) 1992-07-07 US disclosed
EP-0404197-A2 Arylalkylamine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1990-12-27 EP disclosed
EP-0177326-B1 2-ARYLMETHYL-5-ARYL-OXAZOLIDINES, THEIR PREPARATION AND USE SMITHKLINE BEECHAM CORPORATION (US) 1988-11-17 EP disclosed
US-4782163-A 2-(2-halo-3,4-dimethoxybenzyl)-5-(4-methoxyphenyl)-oxazolidines SMITHKLINE BECKMAN CORPORATION (US) 1988-11-01 US disclosed
US-4705862-A Chemical processes for 2-(2-halo-3,4-dimethoxybenzyl)-5-(4-methoxyphenyl)oxazolidines SMITHKLINE BECKMAN CORPORATION (US) 1987-11-10 US disclosed
EP-0177326-A2 2-Arylmethyl-5-aryl-oxazolidines, their preparation and use SMITHKLINE BEECHAM CORPORATION (US) 1986-04-09 EP disclosed
EP-0136016-A2 N-(Substituted)-5-(substituted phenyl)-1,3-Oxazolidines: Herbicidal antidotes STAUFFER CHEMICAL COMPANY (US) 1985-04-03 EP disclosed
EP-0030030-A1 Derivatives of 2-aminoethanol, processes for their preparation, pharmaceutical compositions containing such compounds and the use the latter CIBA-GEIGY AG (CH) 1981-06-10 EP disclosed
US-4010191-A Acyl derivatives of substituted bis-arylalkylamino compounds DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DT) 1977-03-01 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 (3 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-20220106327-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME APOL1, PNLIP, APOB AOC3 760/4885ADRA2A 3239/4885ADRA1A 1945/4885
US-20160340305-A1 DIRECT STEREOSPECIFIC SYNTHESIS OF UNPROTECTED AZIRIDINES FROM OLEFINS AAAS, NISCH, HNMT AOC3 5/4885ADRA2A 96/4885ADRA1A 99/4885
US-20130289083-A1 IDO Inhibitors IDO1, IDO2, INMT AOC3 1429/4885ADRA2A 1340/4885ADRA1A 1464/4885

“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.