SCHEMBL13698458

SCHEMBL13698458

Fc1ccccc1N1CCN(C2CC3CCC2C3)CC1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
PAX8 Q06710 1/20 0.47
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
PKM P14618 1/20 0.45
KMT2A Q03164 1/20 0.45
HSD17B10 Q99714 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
TSHR P16473 2/20 0.42
POLB P06746 1/20 0.42
GLA P06280 1/20 0.41
TP53 P04637 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
SCHEMBL13698499 0.84 KDM4E (0.50) KDM4EALDH1A1PKMKMT2ANPSR1
SCHEMBL3980241 0.83 SLC18A3 (0.58) KDM4EALDH1A1SMN1; SMN2PKMKMT2A
SCHEMBL15763880 0.81 KMT2A (0.47) KDM4EALDH1A1SMN1; SMN2PKMKMT2A
SCHEMBL13698529 0.81 KDM4E (0.47) KDM4EALDH1A1PKMKMT2A
SCHEMBL13698501 0.81 KDM4E (0.50) KDM4EALDH1A1PKMKMT2ANPSR1
SCHEMBL13698508 0.80 KDM4E (0.46) KDM4EALDH1A1PKMKMT2AHSD17B10
SCHEMBL13698457 0.80 SLC18A3 (0.61) KDM4EALDH1A1
SCHEMBL13698535 0.79 SLC18A3 (0.44) KDM4EALDH1A1PKMKMT2A
SCHEMBL17166950 0.79 KDM4E (0.57) KDM4EALDH1A1PKMKMT2A
SCHEMBL11315406 0.79 KDM4E (0.57) KDM4EALDH1A1PKMKMT2A

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 2199/4885PAX8 3756/4885ALDH1A1 2270/4885

“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.