SCHEMBL1968618

SCHEMBL1968618

COc1ccc(CCNCC2CC2)cc1C

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.47
HTR2A P28223 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 1/20 0.45
ATM Q13315 1/20 0.45
KDM1A O60341 1/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 3/20 0.45
MAPT P10636 2/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
GLA P06280 1/20 0.44

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
SCHEMBL1965700 0.88 POLB (0.59) MEN1KMT2ASMN1; SMN2POLBATM
SCHEMBL1968209 0.84 MEN1 (0.56) HTR2AMEN1KMT2ASMN1; SMN2POLB
SCHEMBL1970889 0.83 CNR1 (0.43) HTR2AADRA1DADRA1AADRA1B
SCHEMBL9083412 0.83 ADRA1D (0.70) PKMKMT2ASMN1; SMN2POLBKDM1A
SCHEMBL1969543 0.83 TAAR1 (0.56) GLA
SCHEMBL11934839 0.82 KMT2A (0.53) MEN1KMT2ASMN1; SMN2POLBATM
SCHEMBL1970788 0.82 KMT2A (0.56) MEN1KMT2ASMN1; SMN2POLBATM
SCHEMBL1967751 0.82 CALM1 (0.53) MEN1KMT2ASMN1; SMN2POLBATM
SCHEMBL13438704 0.82 KMT2A (0.53) MEN1KMT2ASMN1; SMN2POLBATM
SCHEMBL1966857 0.82 HTR2A (0.49) HTR2AMEN1KMT2ASMN1; SMN2POLB

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 PKM 2251/4885HTR2A 46/4885MEN1 525/4885

“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.