SCHEMBL1966331

SCHEMBL1966331

COc1ccc(CCNCC2CC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 1/20 0.67
ADRA1A P35348 1/20 0.67
ADRA1B P35368 1/20 0.67
HTT P42858 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
ATM Q13315 1/20 0.52
GAA P10253 1/20 0.51
ANPEP P15144 1/20 0.50
ERAP2 Q6P179 1/20 0.50
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
ADRB2 P07550 2/20 0.49
ALDH1A1 P00352 1/20 0.49
ADRB3 P13945 1/20 0.48

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
SCHEMBL1971179 0.83 ADRA1D (0.49) ADRA1DADRA1AADRA1BHTTMEN1
SCHEMBL31305922 0.83 CXCR4 (0.59) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL28661867 0.82 SMN1; SMN2 (0.65) HTTSMN1; SMN2MEN1KMT2AATM
SCHEMBL17802022 0.81 ADRA1D (0.48) ADRA1DADRA1AADRA1BHTTKDM4E
SCHEMBL1965727 0.81 CHRM2 (0.60) ADRA1DADRA1AADRA1BMEN1KMT2A
SCHEMBL7034334 0.81 ADRA1D (1.00) ADRA1DADRA1AADRA1BSMN1; SMN2MEN1
SCHEMBL1967608 0.81 NPC1 (0.46) ADRA1DADRA1AADRA1BSMN1; SMN2MEN1
SCHEMBL1968986 0.81 L3MBTL1 (0.50) ADRA1DADRA1AADRA1BSMN1; SMN2MEN1
SCHEMBL1965700 0.80 POLB (0.59) SMN1; SMN2MEN1KMT2AATMKDM4E
SCHEMBL1971363 0.80 KDM4E (0.48) ADRA1DADRA1AADRA1BKDM4EALDH1A1

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 ADRA1D 121/4885ADRA1A 77/4885ADRA1B 86/4885

“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.