SCHEMBL4598683

SCHEMBL4598683

COc1ccc(-c2ccc(N(C)C)cc2)cc1C=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 11/20 0.51
NQO2 P16083 1/20 0.47
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 2/20 0.46
TSHR P16473 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
PDGFRB P09619 1/20 0.44
PDGFRA P16234 1/20 0.44
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43
TUBB3 Q13509 1/20 0.43
TUBB2A Q13885 1/20 0.43

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
SCHEMBL7817422 0.86 ALDH1A1 (0.52) ERN1NQO2ALDH1A1KDM4ETSHR
SCHEMBL4600135 0.81 ALDH1A1 (0.62) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL6098384 0.80 ALDH1A1 (0.63) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL4599426 0.80 ERN1 (0.54) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL19792588 0.80 ERN1 (0.71) ERN1ALDH1A1KDM4EMAPTMEN1
SCHEMBL695541 0.79 ERN1 (0.56) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL3252986 0.79 ERN1 (0.66) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL2066161 0.78 PTP4A3 (0.62) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL823282 0.77 ERN1 (0.56) ERN1ALDH1A1KDM4ETSHRTDP1
SCHEMBL4600136 0.77 ERN1 (0.51) ERN1ALDH1A1KDM4ETSHRTDP1

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
EP-1910292-A1 PIPERIDINE DERIVATIVE AS TACHYKININ RECEPTOR ANTAGONIST Takeda Pharmaceutical Company Limited (JP) 2008-04-16 EP disclosed
US-20070149570-A1 Piperidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-06-28 US disclosed
US-20070149570-A1 Piperidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-06-28 US disclosed
WO-2007015588-A1 PIPERIDINE DERIVATIVE AS TACHYKININ RECEPTOR ANTAGONIST TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-08 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-20070149570-A1 Piperidine derivative and use thereof TACR1, OPRL1, TRPV1 ERN1 4124/4885NQO2 2907/4885ALDH1A1 915/4885

“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.