SCHEMBL3366477

SCHEMBL3366477

CC(C)(CCc1ccc(C(N)=O)cc1)NCC(O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 12/20 0.48
ADRB1 P08588 4/20 0.48
ADRB2 P07550 3/20 0.48
ADRA1D P25100 1/20 0.48
ADRA1A P35348 1/20 0.48
ADRA1B P35368 1/20 0.48
BCAT2 O15382 1/20 0.46
CASR P41180 1/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
DPP4 P27487 1/20 0.44

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
SCHEMBL10770012 1.00 ADRB3 (0.48) ADRB3ADRB1ADRB2ADRA1DADRA1A
Hydrochloric Acid SCHEMBL10766903 0.99 ADRB3 (0.49) ADRB3ADRB1ADRB2ADRA1DADRA1A
Hydrochloric Acid SCHEMBL10766900 0.99 ADRB3 (0.49) ADRB3ADRB1ADRB2ADRA1DADRA1A
SCHEMBL8855298 0.89 ADRB2 (0.52) ADRB3ADRB1ADRB2ADRA1DADRA1A
SCHEMBL11460997 0.88 CYP2D6 (0.42) ADRB3ADRB1ADRB2ADRA1DADRA1A
SCHEMBL10730192 0.88 PARP10 (0.55) ADRB3ADRB1ADRB2CASR
SCHEMBL11134654 0.87 ADRB3 (0.47) ADRB3ADRB1ADRB2CASRKDM4E
Hydrochloric Acid SCHEMBL8855321 0.87 PARP10 (0.54) ADRB3ADRB1ADRB2CASR
SCHEMBL11132780 0.86 ADRB3 (0.47) ADRB3ADRB1ADRB2CASRKDM4E
Acetic Acid SCHEMBL11451850 0.84 ADRB2 (0.50) ADRB3ADRB1ADRB2CASRKDM4E

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0241618-A2 Phenyl ethanol amine derivative for use as an oncolytic medicament ELI LILLY AND COMPANY (US) 1987-10-21 EP claimed
EP-0104888-B1 PROCESS FOR PREPARING 2-HYDROXY-2-PHENYLETHYLAMINES ELI LILLY AND COMPANY (US) 1986-10-15 EP claimed
EP-0104888-A1 Process for preparing 2-hydroxy-2-phenylethylamines ELI LILLY AND COMPANY (US) 1984-04-04 EP claimed
EP-0007206-B1 PHENETHANOLAMINES, THEIR FORMULATIONS, PREPARATION AND USE ELI LILLY AND COMPANY (US) 1983-02-23 EP claimed
EP-0007206-A1 Phenethanolamines, their formulations, preparation and use ELI LILLY AND COMPANY (US) 1980-01-23 EP claimed
US-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-01-14 US disclosed
US-20080161324-A1 Compositions and methods for treatment of viral diseases EXCRX (SINGAPORE) PTE. LTD. (F.K.A. COMBINATORX (SINGAPORE) PTE LTD.) (SG) 2008-07-03 US disclosed
WO-2008033466-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PRE. LTD. (SG) 2008-03-20 WO disclosed
EP-0241618-A2 Phenyl ethanol amine derivative for use as an oncolytic medicament ELI LILLY AND COMPANY (US) 1987-10-21 EP disclosed
EP-0104888-B1 PROCESS FOR PREPARING 2-HYDROXY-2-PHENYLETHYLAMINES ELI LILLY AND COMPANY (US) 1986-10-15 EP disclosed
EP-0047536-B1 SUBSTITUTED PROPYLAMINES ELI LILLY AND COMPANY (US) 1984-06-27 EP disclosed
EP-0104888-A1 Process for preparing 2-hydroxy-2-phenylethylamines ELI LILLY AND COMPANY (US) 1984-04-04 EP disclosed
EP-0007206-B1 PHENETHANOLAMINES, THEIR FORMULATIONS, PREPARATION AND USE ELI LILLY AND COMPANY (US) 1983-02-23 EP disclosed
EP-0047536-A2 Substituted propylamines ELI LILLY AND COMPANY (US) 1982-03-17 EP disclosed
EP-0007206-A1 Phenethanolamines, their formulations, preparation and use ELI LILLY AND COMPANY (US) 1980-01-23 EP 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 (2 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-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES HTR1A, HTR3B, HTR3A ADRB3 141/4885ADRB1 199/4885ADRB2 277/4885
US-20080161324-A1 Compositions and methods for treatment of viral diseases HAVCR2, EIF2AK2, RNASE1 ADRB3 2895/4885ADRB1 3011/4885ADRB2 4192/4885

“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.