SCHEMBL13698492

SCHEMBL13698492

CSc1ccccc1N1CCN(CC2CC3C=CC2C3)CC1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 13/20 0.64
TSHR P16473 1/20 0.64
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
ALDH1A1 P00352 5/20 0.53
HTT P42858 1/20 0.51
TDP1 Q9NUW8 3/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
ATM Q13315 1/20 0.51
PKM P14618 2/20 0.47
DRD4 P21917 1/20 0.43
POLB P06746 1/20 0.43
ALOX15 P16050 1/20 0.43
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL13698491 0.84 KDM4E (0.69) KDM4ETSHRMEN1KMT2AALDH1A1
SCHEMBL13698495 0.82 KDM4E (0.67) KDM4ETSHRMEN1KMT2AALDH1A1
SCHEMBL3977661 0.82 KDM4E (0.71) KDM4ETSHRMEN1KMT2AALDH1A1
SCHEMBL13698428 0.81 KDM4E (0.69) KDM4ETSHRMEN1KMT2AALDH1A1
SCHEMBL13698455 0.81 KDM4E (0.64) KDM4ETSHRMEN1KMT2AALDH1A1
SCHEMBL13698544 0.79 KDM4E (0.66) KDM4ETSHRMEN1KMT2AALDH1A1
SCHEMBL13698450 0.79 KDM4E (0.62) KDM4ETSHRMEN1KMT2AALDH1A1
SCHEMBL13698425 0.79 KDM4E (1.00) KDM4ETSHRMEN1KMT2AALDH1A1
SCHEMBL13698449 0.79 KDM4E (0.62) KDM4ETSHRMEN1KMT2AALDH1A1
SCHEMBL13698519 0.76 KDM4E (0.62) KDM4ETSHRMEN1KMT2AALDH1A1

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.