SCHEMBL1967247

SCHEMBL1967247

COc1cc(CCNCC2CC2)cc(OC)c1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
HTR2A P28223 3/20 0.49
HTR2C P28335 1/20 0.49
HTR2B P41595 1/20 0.49
TDP1 Q9NUW8 2/20 0.48
KDM4E B2RXH2 2/20 0.47
POLB P06746 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TUBB4A P04350 2/20 0.45
TUBB P07437 2/20 0.45
TUBA3C P0DPH7 2/20 0.45
TUBA1B P68363 2/20 0.45
TUBA4A P68366 2/20 0.45
TUBB4B P68371 2/20 0.45

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
SCHEMBL1968332 0.87 HTR2A (0.44) ALDH1A1CA12CA1CA2CA9
SCHEMBL26056851 0.85 HTR2A (0.48) ALDH1A1CA12CA1CA2CA9
SCHEMBL1965700 0.83 POLB (0.59) ALDH1A1CA12CA1CA2CA9
SCHEMBL10696558 0.83 HTR2A (0.62) CA12CA1CA2CA9CA14
SCHEMBL1971179 0.81 ADRA1D (0.49) ALDH1A1HTR2AMEN1KMT2ACYP19A1
SCHEMBL1969543 0.81 TAAR1 (0.56)
SCHEMBL26056129 0.80 HTR2A (0.49) ALDH1A1HTR2AHTR2CKDM4EMEN1
SCHEMBL1677780 0.78 CA12 (0.57) CA12CA1CA2CA9CA14
SCHEMBL1968618 0.78 PKM (0.47) ALDH1A1HTR2AKDM4EPOLBMEN1
SCHEMBL13438752 0.78 KDM4E (0.50) ALDH1A1HTR2AHTR2CHTR2BTDP1

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 ALDH1A1 2292/4885CA12 3489/4885CA1 2155/4885

“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.