SCHEMBL1972068

SCHEMBL1972068

COc1ccc(CCCCCN)cc1OC

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.73
KDM4E B2RXH2 1/20 0.73
CYP19A1 P11511 1/20 0.59
AOC3 Q16853 1/20 0.56
CA2 P00918 1/20 0.55
TSHR P16473 2/20 0.54
TAAR1 Q96RJ0 2/20 0.54
CYP1A2 P05177 2/20 0.54
CYP3A4 P08684 2/20 0.54
POLB P06746 1/20 0.54
MAPK1 P28482 1/20 0.54
CYP2D6 P10635 1/20 0.54
NFKB1 P19838 1/20 0.53
BLM P54132 1/20 0.53
PMP22 Q01453 1/20 0.53
LMNA P02545 1/20 0.53
GLA P06280 1/20 0.53

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 SCHEMBL10440706 0.98 ATM (0.71) ATMKDM4ECYP19A1AOC3CA2
SCHEMBL1023837 0.98 ATM (0.76) ATMKDM4ECYP19A1AOC3CA2
SCHEMBL2468726 0.93 ATM (0.79) ATMKDM4ECYP19A1AOC3CA2
SCHEMBL23913120 0.91 ATM (0.68) ATMKDM4ECYP19A1AOC3CA2
SCHEMBL31556190 0.91 ATM (0.68) ATMKDM4ECYP19A1AOC3CA2
SCHEMBL31556187 0.91 ATM (0.68) ATMKDM4ECYP19A1AOC3CA2
SCHEMBL10343404 0.89 ATM (0.70) ATMKDM4ECYP19A1AOC3CA2
SCHEMBL30869991 0.89 ATM (0.70) ATMKDM4ECYP19A1AOC3CA2
SCHEMBL11811979 0.86 ATM (0.69) ATMKDM4ECYP19A1AOC3CA2
SCHEMBL210639 0.85 ATM (1.00) ATMKDM4ECYP19A1AOC3CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 US 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

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 ATM 4794/4885KDM4E 452/4885CYP19A1 1138/4885

“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.