SCHEMBL1968209

SCHEMBL1968209

COc1ccc(CCNCC2CC2)cc1Br

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
MAPT P10636 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
HTR2A P28223 3/20 0.45
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
POLB P06746 1/20 0.44
ATM Q13315 1/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
OPRK1 P41145 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TDP1 Q9NUW8 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 0.87 POLB (0.59) MEN1KMT2AMAPTSMN1; SMN2POLB
SCHEMBL1968618 0.84 PKM (0.47) MEN1KMT2AMAPTSMN1; SMN2HTR2A
SCHEMBL1969543 0.82 TAAR1 (0.56) LMNAMAPK1
SCHEMBL1970788 0.81 KMT2A (0.56) MEN1KMT2AMAPTSMN1; SMN2L3MBTL1
SCHEMBL1967751 0.81 CALM1 (0.53) MEN1KMT2AMAPTSMN1; SMN2L3MBTL1
SCHEMBL13438704 0.81 KMT2A (0.53) MEN1KMT2AMAPTSMN1; SMN2POLB
SCHEMBL11934839 0.81 KMT2A (0.53) MEN1KMT2AMAPTSMN1; SMN2POLB
SCHEMBL1966857 0.81 HTR2A (0.49) MEN1KMT2AMAPTSMN1; SMN2HTR2A
Hydrochloric Acid SCHEMBL7272730 0.80 SLC2A1 (0.60) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL2403138 0.79 KMT2A (0.47) MEN1KMT2AMAPTSMN1; SMN2HTR2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010044054-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD (CH) 2010-04-22 WO claimed
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 MEN1 525/4885KMT2A 253/4885MAPT 1419/4885

“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.