SCHEMBL18754269

SCHEMBL18754269

Clc1ccc(N2CCN(CCCN3CCN(c4ccc(Cl)cc4)CC3)CC2)cc1

nearest known ligand 0.75

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.75
GAA P10253 1/20 0.75
SIGMAR1 Q99720 6/20 0.71
DRD2 P14416 10/20 0.67
DRD3 P35462 8/20 0.67
HTR1A P08908 7/20 0.67
HTR2A P28223 7/20 0.67
TMEM97 Q5BJF2 5/20 0.67
DRD1 P21728 3/20 0.65
DRD5 P21918 3/20 0.65
SLC6A2 P23975 1/20 0.64
SLC6A4 P31645 1/20 0.64
DRD4 P21917 5/20 0.61
CACNA1G O43497 1/20 0.61
HRH1 P35367 3/20 0.58
HTR2C P28335 2/20 0.58
KCNH2 Q12809 1/20 0.58
MAPT P10636 1/20 0.57

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
Hydrochloric Acid SCHEMBL11637430 0.93 KDM4E (0.67) KDM4EGAASIGMAR1DRD2DRD3
SCHEMBL11637592 0.93 KDM4E (0.67) KDM4EGAASIGMAR1DRD2DRD3
SCHEMBL5179759 0.91 KDM4E (0.69) KDM4EGAASIGMAR1DRD2DRD3
SCHEMBL11618967 0.89 CYP2D6 (0.70) KDM4EGAASIGMAR1DRD2DRD3
SCHEMBL16666733 0.89 KDM4E (0.67) KDM4EGAASIGMAR1DRD2DRD3
Hydrochloric Acid SCHEMBL11622828 0.89 KDM4E (0.67) KDM4EGAASIGMAR1DRD2DRD3
SCHEMBL9393977 0.89 KDM4E (0.67) KDM4EGAASIGMAR1DRD2DRD3
SCHEMBL14459608 0.89 KDM4E (0.88) KDM4EGAASIGMAR1DRD2DRD3
SCHEMBL16676579 0.88 KDM4E (0.97) KDM4EGAASIGMAR1DRD2DRD3
SCHEMBL16666842 0.88 KDM4E (0.69) KDM4EGAASIGMAR1DRD2DRD3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170115276-A1 SPECIFIC MODULATORS OF CONNEXIN HEMICHANNELS PONTIFICIA UNIVERSIDAD CATÓLICA DE CHILE º (CL) 2017-04-27 US disclosed
US-20170115276-A1 SPECIFIC MODULATORS OF CONNEXIN HEMICHANNELS PONTIFICIA UNIVERSIDAD CATÓLICA DE CHILE º (CL) 2017-04-27 US disclosed
EP-3156039-A1 SPECIFIC MODULATORS OF CONNEXIN HEMICHANNELS Pontificia Universidad Católica de Chile (CL) 2017-04-19 EP 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-20170115276-A1 SPECIFIC MODULATORS OF CONNEXIN HEMICHANNELS GJA1, GJB2, TNNC1 KDM4E 4297/4885GAA 4775/4885SIGMAR1 1003/4885

“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.