SCHEMBL5438396

SCHEMBL5438396

CN1CCc2cc(N)cc(Cl)c2CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.53
CYP2D6 P10635 1/20 0.53
ADRA2B P18089 1/20 0.53
ADRA2C P18825 1/20 0.53
ADRA1D P25100 1/20 0.53
ADRA1A P35348 1/20 0.53
ADRA1B P35368 1/20 0.53
NPSR1 Q6W5P4 1/20 0.51
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
RAD52 P43351 1/20 0.45
DRD2 P14416 6/20 0.40
DRD1 P21728 5/20 0.40
DRD5 P21918 5/20 0.40
DRD3 P35462 4/20 0.39
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
CYP3A4 P08684 2/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL6294884 0.89 ADRA2A (0.46) ADRA2ACYP2D6ADRA2BADRA2CADRA1D
SCHEMBL29310310 0.89 KDM4E (0.42) ADRA2ACYP2D6ADRA2BADRA2CADRA1D
SCHEMBL24688300 0.79 ADRA2C (0.38) ADRA2ACYP2D6ADRA2BADRA2CADRA1D
SCHEMBL5437532 0.78 DRD2 (0.39) ADRA2ACYP2D6ADRA2BADRA2CADRA1D
SCHEMBL21237602 0.74 NOTUM (0.46) ADRA2ACYP2D6ADRA2BADRA2CADRA1D
SCHEMBL29310333 0.73 MAOA (0.41) CYP2D6ADRA1DADRA1AADRA1BDRD2
SCHEMBL20214765 0.71 MAOA (0.40) CYP2D6MAPTDRD2DRD1DRD5
SCHEMBL5441574 0.71 HTR2A (0.52) ADRA2ACYP2D6ADRA2BADRA2CADRA1D
SCHEMBL1906400 0.71 DRD2 (0.53) ADRA2ACYP2D6ADRA2BADRA2CADRA1D
SCHEMBL10082732 0.70 CYP2D6 (0.44) ADRA2ACYP2D6ADRA2BADRA2CADRA1D

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-20070043026-A1 Dopamine receptor modulators as antipsychotic agents GLAXO GROUP LIMITED (GB) 2007-02-22 US disclosed
US-20070043026-A1 Dopamine receptor modulators as antipsychotic agents GLAXO GROUP LIMITED (GB) 2007-02-22 US disclosed
US-20070043026-A1 Dopamine receptor modulators as antipsychotic agents GLAXO GROUP LIMITED (GB) 2007-02-22 US disclosed
US-20050222124-A1 Benzenesulfonamide derivatives as antipsychotic agents GLAXO GROUP LIMITED (GB) 2005-10-06 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 (2 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-20070043026-A1 Dopamine receptor modulators as antipsychotic agents SIGMAR1, CHRM1, OPRM1 ADRA2A 176/4885CYP2D6 598/4885ADRA2B 168/4885
US-20050222124-A1 Benzenesulfonamide derivatives as antipsychotic agents SIGMAR1, CNR1, CBR1 ADRA2A 564/4885CYP2D6 184/4885ADRA2B 452/4885

“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.