SCHEMBL2459459

SCHEMBL2459459

NCCc1ccc(Cc2ccccc2)cc1

nearest known ligand 0.80

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 3/20 0.80
▸ CYP2A6 P11509 1/20 0.80
▸ SMN1; SMN2 Q16637 1/20 0.80
▸ TAAR1 Q96RJ0 1/20 0.80
▸ LOXL2 Q9Y4K0 1/20 0.80
▸ CALM1 P0DP23 1/20 0.60
▸ MAOA P21397 3/20 0.58
▸ MAOB P27338 3/20 0.58
▸ HTR6 P50406 1/20 0.55
▸ LTA4H P09960 1/20 0.55

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
SCHEMBL1047500 0.90 TAAR1 (0.89) HTR2ACYP2A6SMN1; SMN2TAAR1LOXL2
SCHEMBL6314759 0.89 TAAR1 (0.62) HTR2ACYP2A6SMN1; SMN2TAAR1LOXL2
Phenethylamine SCHEMBL1330939 0.89 — —
Phenethylamine SCHEMBL27634208 0.89 HTR2A (1.00) HTR2ACYP2A6SMN1; SMN2TAAR1LOXL2
Phenethylamine SCHEMBL1799333 0.89 HTR2A (1.00) HTR2ACYP2A6SMN1; SMN2TAAR1LOXL2
Phenethylamine SCHEMBL1332244 0.89 — —
Phenethylamine SCHEMBL968 0.89 — —
Phenethylamine SCHEMBL1331271 0.89 — —
SCHEMBL20249530 0.88 HTR2A (0.61) HTR2ACYP2A6SMN1; SMN2TAAR1LOXL2
Phenethylamine SCHEMBL6241094 0.87 HTR2A (0.94) HTR2ACYP2A6SMN1; SMN2TAAR1LOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108218715-A A kind of method for synthesizing α-phenyl-β-p-methylphenyl ethylamine 江苏优嘉植物保护有限公司 2018-06-29 — — CN claimed
EP-0208948-A2 A method for optical resolution of phenylacetic acid derivative SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-01-21 — — EP claimed
CN-108218715-A A kind of method for synthesizing α-phenyl-β-p-methylphenyl ethylamine 江苏优嘉植物保护有限公司 2018-06-29 — — CN disclosed
CN-108218715-A A kind of method for synthesizing α-phenyl-β-p-methylphenyl ethylamine 江苏优嘉植物保护有限公司 2018-06-29 — — CN disclosed
US-20160257677-A1 LARGE SUBSTITUTENT, NON-PHENOLIC OPIOIDS AND METHODS OF USE THEREOF RENSSELAER POLYTECHNIC INSTITUTE (US) 2016-09-08 — — US disclosed
US-9156821-B2 Large substituent, non-phenolic opioids and methods of use thereof RENSSELAER POLYTECHNIC INSTITUTE (US) 2015-10-13 — — US disclosed
US-20150051194-A1 LARGE SUBSTITUENT, NON-PHENOLIC OPIOIDS AND METHODS OF USE THEREOF RENSSELAER POLYTECHNIC INSTITUTE (US) 2015-02-19 — — US disclosed
US-8901148-B2 Large substituent, non-phenolic opioids and methods of use thereof RENSSELAER POLYTECHNIC INSTITUTE (US) 2014-12-02 — — US disclosed
EP-1924559-B1 8-CARBOXAMIDO-SUBSTITUTED-2 , 6-METHANO-3-BENZAZOCINES AND 3 - CARBOXAMIDO- SUBSTITUTED MORPHANES AS OPIOID RECEPTOR BINDING AGENTS RENSSELAER POLYTECH INST (US) 2014-04-16 — — EP disclosed
US-20130345251-A1 LARGE SUBSTITUENT, NON-PHENOLIC OPIOIDS AND METHODS OF USE THEREOF RENSSELAER POLYTECHNIC INSTITUTE (US) 2013-12-26 — — US disclosed
US-8541586-B2 Large substituent, non-phenolic opioids and methods of use thereof RENSSELAER POLYTECHNIC INSTITUTE (US) 2013-09-24 — — US disclosed
US-20080090829-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS PFIZER INC. 2008-04-17 — — US disclosed
WO-2007014137-A2 8-CARBOXAMIDO-SUBSTITUTED-2 , 6-METHANO-3-BENZAZOCINES AND 3 - CARBOXAMIDO- SUBSTITUTED MORPHANES AS OPIOID RECEPTOR BINDING AGENTS RENSSELAER POLYTECHNIC INSTITUTE (US) 2007-02-01 — — WO disclosed
US-20070021457-A1 analgesics, antidiarrheal agents, anticonvulsants, antitussives, anti-addiction; 8-Substituted-2,6-methano-3-benzazocines RENSSELAER POLYTECHNIC INSTITUTE (US) 2007-01-25 — — US disclosed
US-20060229363-A1 Substituted Heteroaryl- and Phenylsulfamoyl Compounds HAMANAKA ERNEST S 2006-10-12 — — US disclosed
US-20050288340-A1 Substituted heteroaryl- and phenylsulfamoyl compounds PFIZER INC 2005-12-29 — — US disclosed
US-5232946-A Promoting weight gain and reduction of blood sugar and fat deposits in animals, feed efficiency DR. KARL THOMAE GMBH (DE) 1993-08-03 — — US disclosed
EP-0400011-A1 NEW PHENYLETHANOLAMINES. BOEHRINGER INGELHEIM VETMED (DE) 1990-12-05 — — EP disclosed
EP-0375791-A1 Phenyl ethanol amines, their use as pharmaceutical compounds and as performance stimulants in animals, as well as processes for their preparation BOEHRINGER INGELHEIM VETMEDICA GMBH (DE) 1990-07-04 — — EP disclosed
WO-1990006299-A1 NEW PHENYLETHANOLAMINES BOEHRINGER INGELHEIM VETMEDICA GMBH (DE) 1990-06-14 — — 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-20060229363-A1 Substituted Heteroaryl- and Phenylsulfamoyl Compounds PPARA, PPARG, PPARD HTR2A 1889/4885CYP2A6 836/4885SMN1; SMN2 3271/4885
US-20130345251-A1 LARGE SUBSTITUENT, NON-PHENOLIC OPIOIDS AND METHODS OF USE THEREOF OPRK1, OPRM1, OPRD1 HTR2A 61/4885CYP2A6 47/4885SMN1; SMN2 1703/4885
US-20050288340-A1 Substituted heteroaryl- and phenylsulfamoyl compounds PPARA, PPARG, PPARD HTR2A 1759/4885CYP2A6 976/4885SMN1; SMN2 3404/4885
US-20070021457-A1 analgesics, antidiarrheal agents, anticonvulsants, antitussives, anti-addiction; 8-Substituted-2,6-methano-3-benzazocines OPRM1, OPRK1, OPRL1 HTR2A 43/4885CYP2A6 25/4885SMN1; SMN2 2384/4885
US-20150051194-A1 LARGE SUBSTITUENT, NON-PHENOLIC OPIOIDS AND METHODS OF USE THEREOF OPRK1, OPRM1, OPRD1 HTR2A 61/4885CYP2A6 47/4885SMN1; SMN2 1703/4885
US-20160257677-A1 LARGE SUBSTITUTENT, NON-PHENOLIC OPIOIDS AND METHODS OF USE THEREOF OPRM1, OPRK1, SIGMAR1 HTR2A 111/4885CYP2A6 59/4885SMN1; SMN2 1933/4885
US-20080090829-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS PPARA, PPARG, PPARD HTR2A 1759/4885CYP2A6 976/4885SMN1; SMN2 3404/4885

“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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