SCHEMBL4608739

SCHEMBL4608739

Nc1nnc(SCCCN2CCN(c3cc(Cl)cc(Cl)c3)CC2)s1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 2/20 0.52
GRIN2A Q12879 1/20 0.52
TMEM97 Q5BJF2 2/20 0.44
HTR1A P08908 2/20 0.42
DRD2 P14416 2/20 0.42
HTR2A P28223 2/20 0.42
DRD3 P35462 2/20 0.42
DRD1 P21728 1/20 0.42
DRD5 P21918 1/20 0.42
ALDH1A1 P00352 3/20 0.42
KCNH2 Q12809 1/20 0.40
HTR2C P28335 1/20 0.39
HRH1 P35367 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTT P42858 1/20 0.39

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 SCHEMBL7322849 0.88 KCNH2 (0.56) GRIN2BGRIN2AHTR1ADRD2HTR2A
Hydrochloric Acid SCHEMBL7320117 0.80 GRIN2B (0.52) GRIN2BGRIN2AHTR1ADRD2HTR2A
Hydrochloric Acid SCHEMBL7322276 0.79 KCNH2 (0.56) GRIN2BGRIN2AHTR1ADRD2HTR2A
Hydrochloric Acid SCHEMBL7322321 0.78 KCNH2 (0.58) GRIN2BGRIN2AHTR1ADRD2HTR2A
SCHEMBL8481972 0.77 GRIN2B (0.59) GRIN2BGRIN2ATMEM97DRD2DRD3
Hydrochloric Acid SCHEMBL7324295 0.75 GRIN2B (0.63) GRIN2BGRIN2AHTR1ADRD2HTR2A
Hydrochloric Acid SCHEMBL9151919 0.74 GRIN2B (0.57) GRIN2BGRIN2ADRD2DRD3ALDH1A1
SCHEMBL4608967 0.74 DRD3 (0.54) GRIN2BGRIN2ADRD2DRD3ALDH1A1
SCHEMBL4607941 0.74 GRIN2B (0.47) GRIN2BGRIN2AALDH1A1KCNH2
Hydrochloric Acid SCHEMBL7327104 0.73 GRIN2B (0.71) GRIN2BGRIN2AALDH1A1

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
EP-1272187-B1 DOPAMINE-D3 RECEPTOR LIGANDS FOR THE TREATMENT OF ADDICTION ABBOTT GMBH & CO KG (DE) 2008-07-30 EP claimed
EP-1272187-B1 DOPAMINE-D3 RECEPTOR LIGANDS FOR THE TREATMENT OF ADDICTION ABBOTT GMBH & CO KG (DE) 2008-07-30 EP disclosed
US-20030087917-A1 Use of dopamine-d3 receptor ligands for the treatment of diseases of the central nervous system ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2003-05-08 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-20030087917-A1 Use of dopamine-d3 receptor ligands for the treatment of diseases of the central nervous system DRD3, DRD2, OPRD1 GRIN2B 30/4885GRIN2A 59/4885TMEM97 487/4885

“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.