SCHEMBL1970148

SCHEMBL1970148

COc1ccc(CCNCC(C)C)cc1OC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 8/20 0.64
POLB P06746 1/20 0.63
ATM Q13315 1/20 0.63
ADRB1 P08588 7/20 0.63
ALDH1A1 P00352 2/20 0.63
LMNA P02545 2/20 0.63
SLC6A4 P31645 2/20 0.63
SLC6A3 Q01959 2/20 0.63
NPSR1 Q6W5P4 1/20 0.63
SLC22A1 O15245 1/20 0.63
CHRM2 P08172 1/20 0.63
CYP3A4 P08684 1/20 0.63
CHRM1 P11229 1/20 0.63
TSHR P16473 1/20 0.63
NFKB1 P19838 1/20 0.63
OPRM1 P35372 1/20 0.63
HIF1A Q16665 1/20 0.63
SMN1; SMN2 Q16637 2/20 0.61
KDM4E B2RXH2 1/20 0.58
GLA P06280 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
Hydrochloric Acid SCHEMBL9781659 0.98 ADRB2 (0.63) ADRB2POLBATMADRB1ALDH1A1
SCHEMBL7435099 0.86 ATM (0.76) ADRB2POLBATMALDH1A1SMN1; SMN2
SCHEMBL13995502 0.86 ATM (0.61) ADRB2POLBATMADRB1ALDH1A1
Hydrochloric Acid SCHEMBL11808765 0.84 ATM (0.73) ADRB2POLBATMALDH1A1SMN1; SMN2
SCHEMBL6094349 0.83 ADRB2 (0.74) ADRB2POLBATMADRB1ALDH1A1
SCHEMBL6094272 0.83 ADRB2 (0.74) ADRB2POLBATMADRB1ALDH1A1
SCHEMBL11378844 0.82 ADRB2 (0.59) ADRB2POLBATMADRB1ALDH1A1
SCHEMBL9700731 0.82 ADRB2 (0.66) ADRB2ADRB1ALDH1A1LMNASLC6A4
SCHEMBL9700569 0.82 ADRB2 (0.66) ADRB2ADRB1ALDH1A1LMNASLC6A4
SCHEMBL1966411 0.81 ATM (0.69) ADRB2POLBATMALDH1A1SMN1; SMN2

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 7 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
EP-1622867-B1 N-(2-PHENYLETHYL)SULFAMIDE DERIVATIVES AS INTEGRIN ALPHA4 ANTAGONISTS ALMIRALL LAB (ES) 2007-09-19 EP disclosed
US-20070179183-A1 N-(2-phenylethyl)sulfamide derivatives as integrin alpha4 antagonists ALMIRALL, S.A. (ES) 2007-08-02 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 (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-20070179183-A1 N-(2-phenylethyl)sulfamide derivatives as integrin alpha4 antagonists ITGA4, ITGB4, ITGA2 ADRB2 310/4885POLB 4591/4885ATM 4436/4885
US-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES HCRTR2, HCRTR1, HRH3 ADRB2 68/4885POLB 4374/4885ATM 4794/4885

“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.