SCHEMBL1970889

SCHEMBL1970889

Cc1ccc(CCNCC2CC2)cc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.43
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
KCNH2 Q12809 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
FPR3 P25089 1/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
MAPK14 Q16539 1/20 0.38
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
SAT1 P21673 1/20 0.37
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
HTR2A P28223 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36

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
SCHEMBL1968618 0.83 PKM (0.47) ADRA1DADRA1AADRA1BHTR2A
SCHEMBL1967608 0.81 NPC1 (0.46) ADRA1DADRA1AADRA1BCXCR4
SCHEMBL1970243 0.79 CXCR4 (0.52) CNR1LMNATP53CXCR4
SCHEMBL1968986 0.77 L3MBTL1 (0.50) ADRA1DADRA1AADRA1BSIGMAR1TP53
SCHEMBL1965700 0.76 POLB (0.59) ADRB2ADRB1LMNASLC6A4SLC6A3
SCHEMBL2404981 0.75 TAAR1 (0.47) MAPK14TP53SAT1HTR2ACXCR4
SCHEMBL1967603 0.75 NPY5R (0.56) ADRA1DADRA1AADRA1B
SCHEMBL1967205 0.75 ALDH1A1 (0.52) ADRA1DADRA1AADRA1BSIGMAR1ADRB2
SCHEMBL1969543 0.74 TAAR1 (0.56) ADRB2LMNADRD2DRD4
SCHEMBL25343202 0.74 GFER (0.46) ADRA1DADRA1AADRA1BADRB2ADRB1

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 CNR1 6/4885ADRA1D 121/4885ADRA1A 77/4885

“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.