SCHEMBL4607941

SCHEMBL4607941

CC(C)c1cccc(N2CCN(CCCCCCCSc3nnc(N)s3)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 2/20 0.47
GRIN2A Q12879 1/20 0.47
KCNH2 Q12809 6/20 0.44
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL4608967 0.83 DRD3 (0.54) GRIN2BGRIN2AKCNH2ALDH1A1
Hydrochloric Acid SCHEMBL7322276 0.82 KCNH2 (0.56) GRIN2BGRIN2AKCNH2
Hydrochloric Acid SCHEMBL7322321 0.80 KCNH2 (0.58) GRIN2BGRIN2AKCNH2
Hydrochloric Acid SCHEMBL7322849 0.80 KCNH2 (0.56) GRIN2BGRIN2AKCNH2
Hydrochloric Acid SCHEMBL7324295 0.74 GRIN2B (0.63) GRIN2BGRIN2AKCNH2ALDH1A1
SCHEMBL4608739 0.74 GRIN2B (0.52) GRIN2BGRIN2AKCNH2ALDH1A1
Hydrochloric Acid SCHEMBL7323720 0.73 HTR1A (0.53) GRIN2BALDH1A1
Hydrochloric Acid SCHEMBL9151919 0.72 GRIN2B (0.57) GRIN2BGRIN2AALDH1A1
SCHEMBL4608233 0.70 KCNH2 (0.40) KCNH2ALDH1A1
SCHEMBL18737492 0.69 DRD2 (0.51) KCNH2ALDH1A1

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 59/4885KCNH2 1688/4885

“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.