SCHEMBL1969765

SCHEMBL1969765

COc1ccc(CCNCCO)cc1OC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.65
ATM Q13315 1/20 0.65
SMN1; SMN2 Q16637 2/20 0.63
MAPT P10636 1/20 0.62
KDM4E B2RXH2 2/20 0.60
KMT2A Q03164 1/20 0.60
ALDH1A1 P00352 2/20 0.60
GLA P06280 1/20 0.60
ADRB2 P07550 2/20 0.58
SLC2A1 P11166 1/20 0.58
CA12 O43570 2/20 0.57
CA1 P00915 2/20 0.57
CA2 P00918 2/20 0.57
CA9 Q16790 2/20 0.57
LMNA P02545 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
SLC22A1 O15245 1/20 0.57
CHRM2 P08172 1/20 0.57
ADRB1 P08588 1/20 0.57
CYP3A4 P08684 1/20 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
SCHEMBL7435099 0.91 ATM (0.76) POLBATMSMN1; SMN2MAPTKDM4E
SCHEMBL27432980 0.90 KDM4E (0.66) POLBATMSMN1; SMN2MAPTKDM4E
SCHEMBL10831301 0.90 POLB (0.75) POLBATMSMN1; SMN2MAPTKDM4E
Hydrochloric Acid SCHEMBL11808765 0.90 ATM (0.73) POLBATMSMN1; SMN2MAPTKDM4E
SCHEMBL11811971 0.85 SLC2A1 (0.68) POLBATMSMN1; SMN2MAPTKDM4E
SCHEMBL30798962 0.85 SLC2A1 (0.76) POLBATMSMN1; SMN2MAPTKDM4E
SCHEMBL1972067 0.85 SIGMAR1 (0.70) POLBATMSMN1; SMN2MAPTKDM4E
SCHEMBL6991909 0.85 KDM4E (0.82) POLBATMSMN1; SMN2KDM4EKMT2A
SCHEMBL1967911 0.83 ATM (0.65) POLBATMSMN1; SMN2MAPTKDM4E
SCHEMBL10924238 0.83 ATM (0.69) POLBATMSMN1; SMN2MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010044054-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD (CH) 2010-04-22 WO claimed
US-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 US disclosed
CN-102164896-A Phenethylamide derivatives and their heterocyclic analogues ACTELION PHARMACEUTICALS LTD 2011-08-24 CN disclosed
EP-2334643-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES Actelion Pharmaceuticals Ltd. (CH) 2011-06-22 EP disclosed
WO-2010044054-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD (CH) 2010-04-22 WO disclosed
WO-1996000715-A1 NEW [2-(3,4-DIMETHOXY-PHENYL)-ETHYL]-(2-PHENOXY-ETHYL)-AMINES, A PROCESS FOR PREPARING THE SAME AND THEIR USE AS MEDICAMENTS ARZNEIMITTELWERK DRESDEN GMGH (DE) 1996-01-11 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 (1 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-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES HCRTR2, HCRTR1, HRH3 POLB 4374/4885ATM 4794/4885SMN1; SMN2 3751/4885

“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.