SCHEMBL13698441

SCHEMBL13698441

COc1cccc(N2CCN(CC3CC4C=CC3C4)CC2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.68
TSHR P16473 2/20 0.68
MEN1 O00255 3/20 0.66
KMT2A Q03164 3/20 0.66
CYP1A2 P05177 1/20 0.66
CYP3A4 P08684 1/20 0.66
CYP2D6 P10635 1/20 0.66
CYP2C19 P33261 1/20 0.66
ATM Q13315 1/20 0.66
DRD2 P14416 2/20 0.63
DRD4 P21917 1/20 0.63
POLB P06746 1/20 0.55
ALOX15 P16050 1/20 0.55
KCNH2 Q12809 2/20 0.55
ALDH1A1 P00352 6/20 0.53
SMN1; SMN2 Q16637 3/20 0.51
HTT P42858 1/20 0.51
GFER P55789 1/20 0.50
MAPT P10636 2/20 0.49
TDP1 Q9NUW8 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
SCHEMBL13698440 0.82 KDM4E (0.71) KDM4ETSHRMEN1KMT2ACYP1A2
SCHEMBL13698425 0.82 KDM4E (1.00) KDM4ETSHRMEN1KMT2ACYP1A2
SCHEMBL13698445 0.80 KDM4E (1.00) KDM4ETSHRMEN1KMT2ACYP1A2
SCHEMBL26706631 0.80 KDM4E (1.00) KDM4ETSHRMEN1KMT2ACYP1A2
SCHEMBL13698455 0.78 KDM4E (0.64) KDM4ETSHRMEN1KMT2ACYP1A2
SCHEMBL13698434 0.77 KDM4E (0.74) KDM4ETSHRMEN1KMT2ACYP1A2
SCHEMBL13698558 0.76 KDM4E (0.65) KDM4ETSHRMEN1KMT2ACYP1A2
SCHEMBL30502286 0.76 DRD2 (0.62) KDM4ETSHRDRD2DRD4KCNH2
SCHEMBL27784422 0.76 DRD2 (0.62) KDM4ETSHRDRD2DRD4KCNH2
SCHEMBL3973853 0.75 KDM4E (0.57) KDM4ETSHRMEN1KMT2ACYP1A2

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
US-20090239873-A1 Phenyl-piperazine derivatives as modulators of muscarinic receptors BLANCO MIGUEL GARCIA-GUZMAN 2009-09-24 US disclosed
US-20090239873-A1 Phenyl-piperazine derivatives as modulators of muscarinic receptors BLANCO MIGUEL GARCIA-GUZMAN 2009-09-24 US disclosed
US-7563795-B2 Phenyl-piperazine derivatives as modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-07-21 US disclosed
US-7563795-B2 Phenyl-piperazine derivatives as modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-07-21 US 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-20090239873-A1 Phenyl-piperazine derivatives as modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 KDM4E 2199/4885TSHR 98/4885MEN1 3939/4885

“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.