SCHEMBL16142256

SCHEMBL16142256

c1ccc(N2CCN(CCC3CO3)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 4/20 0.59
KCNH2 Q12809 1/20 0.59
SIGMAR1 Q99720 3/20 0.57
DRD2 P14416 2/20 0.57
HTR1A P08908 1/20 0.56
CYP2D6 P10635 1/20 0.54
CHRNA7 P36544 1/20 0.51
DRD3 P35462 1/20 0.51
DRD4 P21917 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL3356592 0.83 DRD4 (0.55) KCNH2SIGMAR1DRD2HTR1ACYP2D6
SCHEMBL18227891 0.80 HTR7 (0.62) HTR7KCNH2SIGMAR1DRD2HTR1A
SCHEMBL9041083 0.80 KCNH2 (0.80) HTR7KCNH2SIGMAR1DRD2HTR1A
SCHEMBL18227898 0.78 HTR7 (0.60) HTR7KCNH2SIGMAR1DRD2HTR1A
SCHEMBL18227900 0.78 HTR7 (0.60) HTR7KCNH2SIGMAR1DRD2HTR1A
SCHEMBL9742163 0.78 GRM2 (0.61) HTR7
SCHEMBL9742158 0.77 HTR7 (0.59) HTR7KCNH2SIGMAR1HTR1ACYP2D6
SCHEMBL9741902 0.77 HTR7 (0.62) HTR7KCNH2SIGMAR1DRD2DRD3
SCHEMBL9741903 0.77 HTR7 (0.62) HTR7KCNH2SIGMAR1DRD2DRD3
SCHEMBL9741906 0.77 HTR7 (0.62) HTR7KCNH2SIGMAR1DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140296249-A1 4-PHENYLPIPERAZINE DERIVATIVES WITH FUNCTIONALIZED LINKERS AS DOPAMINE D3 RECEPTOR SELECTIVE LIGANDS AND METHODS OF USE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERV (US) 2014-10-02 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-20140296249-A1 4-PHENYLPIPERAZINE DERIVATIVES WITH FUNCTIONALIZED LINKERS AS DOPAMINE D3 RECEPTOR SELECTIVE LIGANDS AND METHODS OF USE DRD3, DRD2, SLC6A3 HTR7 90/4885KCNH2 441/4885SIGMAR1 30/4885

“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.