SCHEMBL16142173

SCHEMBL16142173

NCCC(O)CN1CCN(c2ccccc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.69
ADRA2B P18089 1/20 0.69
ADRA2C P18825 1/20 0.69
KMT2A Q03164 3/20 0.60
MEN1 O00255 2/20 0.60
MAPT P10636 4/20 0.59
TSHR P16473 1/20 0.58
CYP2D6 P10635 1/20 0.55
IGF1R P08069 1/20 0.54
MAPK1 P28482 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
GAA P10253 1/20 0.53
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
GFER P55789 1/20 0.53
TDP1 Q9NUW8 1/20 0.52

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
SCHEMBL10153128 0.87 ADRA2A (0.73) ADRA2AADRA2BADRA2CKMT2AMEN1
Dropropizine SCHEMBL8379428 0.82 ADRA2A (1.00) ADRA2AADRA2BADRA2CKMT2AMEN1
Levodropropizine SCHEMBL29043 0.82 ADRA2A (1.00) ADRA2AADRA2BADRA2CKMT2AMEN1
Dropropizine SCHEMBL93975 0.82 ADRA2A (1.00) ADRA2AADRA2BADRA2CKMT2AMEN1
SCHEMBL27394551 0.82 ADRA2A (0.66) ADRA2AADRA2BADRA2CKMT2AMEN1
SCHEMBL7349909 0.82 ADRA2A (0.70) ADRA2AADRA2BADRA2CKMT2AMEN1
SCHEMBL11592740 0.81 ADRA2A (0.61) ADRA2AADRA2BADRA2CKMT2AMEN1
SCHEMBL10973337 0.81 ADRA2A (0.73) ADRA2AADRA2BADRA2CKMT2AMEN1
Dropropizine SCHEMBL27495915 0.81 ADRA2A (0.97) ADRA2AADRA2BADRA2CKMT2AMEN1
SCHEMBL10572259 0.81 ADRA2A (0.73) ADRA2AADRA2BADRA2CKMT2AMEN1

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 ADRA2A 41/4885ADRA2B 72/4885ADRA2C 18/4885

“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.