SCHEMBL1970013

SCHEMBL1970013

Cc1ccc(CCNCC2CC2)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.41
FPR3 P25089 1/20 0.39
KMT2A Q03164 3/20 0.39
P2RX7 Q99572 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
SAT1 P21673 1/20 0.36
CXCR4 P61073 2/20 0.36
MEN1 O00255 2/20 0.36
POLB P06746 1/20 0.36
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
CASP1 P29466 1/20 0.35
HBB P68871 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SLC6A2 P23975 1/20 0.35

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
SCHEMBL2404981 0.87 TAAR1 (0.47) HTR2AKMT2ATP53SAT1CXCR4
SCHEMBL23607588 0.83 MEN1 (0.47) KMT2AP2RX7TP53CXCR4MEN1
SCHEMBL1968533 0.80 TP53 (0.47) HTR2AKMT2ATP53CXCR4MEN1
SCHEMBL12049796 0.76 ESRRA (0.50) KMT2AP2RX7TP53CXCR4MEN1
SCHEMBL1967608 0.76 NPC1 (0.46) KMT2ACXCR4MEN1POLBALDH1A1
SCHEMBL1971950 0.76 HTR2A (0.56) HTR2AKMT2AMEN1ALDH1A1MAPT
SCHEMBL1976170 0.76 MTNR1A (0.61) HTR2AKMT2AMEN1POLBKDM4E
SCHEMBL11410296 0.75 TAAR1 (0.47) HTR2AKMT2AMEN1KDM4EALDH1A1
SCHEMBL1970243 0.74 CXCR4 (0.52) LMNATP53CXCR4POLBALDH1A1
SCHEMBL5013644 0.73 MEN1 (0.47) KMT2ATP53CXCR4MEN1MAPT

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 HTR2A 46/4885FPR3 408/4885KMT2A 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.