SCHEMBL1967751

SCHEMBL1967751

CCOc1ccc(CCNCC2CC2)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 3/20 0.53
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
EPHX1 P07099 1/20 0.49
BCHE P06276 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
POLB P06746 1/20 0.49
ATM Q13315 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
MAPT P10636 1/20 0.48
ADRB2 P07550 1/20 0.47
DRD2 P14416 1/20 0.47
DRD1 P21728 1/20 0.47
DRD4 P21917 1/20 0.47
DRD3 P35462 1/20 0.47
PLK1 P53350 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GLA P06280 1/20 0.47

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
SCHEMBL1970788 0.95 KMT2A (0.56) MEN1KMT2AEPHX1BCHESMN1; SMN2
SCHEMBL1965700 0.90 POLB (0.59) MEN1KMT2AEPHX1SMN1; SMN2POLB
SCHEMBL69161 0.85 BCHE (0.69) MEN1KMT2ABCHESMN1; SMN2ADRB2
SCHEMBL13438704 0.84 KMT2A (0.53) MEN1KMT2AEPHX1SMN1; SMN2POLB
SCHEMBL11934839 0.84 KMT2A (0.53) MEN1KMT2AEPHX1SMN1; SMN2POLB
Hydrochloric Acid SCHEMBL7272730 0.83 SLC2A1 (0.60) MEN1KMT2ABCHESMN1; SMN2MAPT
SCHEMBL1969543 0.82 TAAR1 (0.56) ADRB2DRD2DRD1DRD4DRD3
SCHEMBL1968618 0.82 PKM (0.47) MEN1KMT2ASMN1; SMN2POLBATM
SCHEMBL1969966 0.82 RECQL (0.48) MEN1KMT2AEPHX1SMN1; SMN2POLB
SCHEMBL1968209 0.81 MEN1 (0.56) MEN1KMT2ASMN1; SMN2POLBATM

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 CALM1 1508/4885MEN1 525/4885KMT2A 253/4885

“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.