SCHEMBL1969756

SCHEMBL1969756

c1cc2c(cc1CCNCC1CC1)OCO2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
KDM4E B2RXH2 3/20 0.55
TDP1 Q9NUW8 2/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
ALDH1A1 P00352 2/20 0.53
LMNA P02545 1/20 0.53
PKM P14618 1/20 0.53
TSHR P16473 1/20 0.53
MAPK1 P28482 1/20 0.53
TAAR1 Q96RJ0 1/20 0.53
GAA P10253 1/20 0.51
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 1/20 0.51

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
SCHEMBL1966433 0.91 LMNA (0.50) POLBKDM4ETDP1MEN1KMT2A
SCHEMBL30496700 0.85 POLB (0.66) POLBKDM4ETDP1MEN1KMT2A
SCHEMBL11935163 0.85 TAAR1 (0.48) KDM4ETDP1MEN1KMT2AALDH1A1
SCHEMBL108732 0.84 POLB (0.69) POLBKDM4ETDP1MEN1KMT2A
SCHEMBL20689715 0.80 POLB (0.59) POLBKDM4ETDP1MEN1KMT2A
SCHEMBL9736670 0.80 POLB (0.59) POLBKDM4ETDP1MEN1KMT2A
SCHEMBL28999843 0.79 KMT2A (0.55) POLBKDM4ETDP1MEN1KMT2A
SCHEMBL29261883 0.79 TAAR1 (0.61) POLBKDM4ETDP1MEN1KMT2A
SCHEMBL1967416 0.78 SMYD3 (0.41) MEN1KMT2A
SCHEMBL23389370 0.78 POLB (0.58) POLBKDM4ETDP1MEN1KMT2A

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 POLB 4374/4885KDM4E 452/4885TDP1 4608/4885

“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.