SCHEMBL4608940

SCHEMBL4608940

CCn1c(N)nnc1SCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
MAPT P10636 1/20 0.53
TSHR P16473 1/20 0.53
NFKB1 P19838 1/20 0.53
MAPK1 P28482 1/20 0.53
CYP2C19 P33261 1/20 0.53
THPO P40225 1/20 0.53
MTOR P42345 1/20 0.53
BLM P54132 1/20 0.53
PMP22 Q01453 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
HTR7 P34969 6/20 0.50
HTR1A P08908 3/20 0.50
SIGMAR1 Q99720 2/20 0.50
DRD2 P14416 2/20 0.46
ADRA1A P35348 1/20 0.46

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
SCHEMBL4608504 0.89 HTR7 (0.53) ALDH1A1SMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL7680682 0.81 SIGMAR1 (0.53) ALDH1A1SMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL12468732 0.79 DRD2 (0.54) HTR7HTR1ASIGMAR1DRD2ADRA1A
SCHEMBL12469317 0.77 NPSR1 (0.61) ALDH1A1SMN1; SMN2MAPTTSHRHTR7
SCHEMBL7677748 0.77 SIGMAR1 (0.54) HTR7HTR1ASIGMAR1DRD2ADRA1A
SCHEMBL13875120 0.76 SIGMAR1 (0.69) ALDH1A1SMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL11465528 0.75 SIGMAR1 (0.76) ALDH1A1SMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL10575304 0.75 DRD2 (0.51) HTR7HTR1ASIGMAR1DRD2ADRA1A
SCHEMBL10573622 0.75 MAPT (0.54) MAPTHTR7HTR1ASIGMAR1DRD2
SCHEMBL13875122 0.74 SIGMAR1 (0.71) ALDH1A1SMN1; SMN2CYP1A2CYP3A4CYP2D6

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 ALDH1A1 1176/4885SMN1; SMN2 1480/4885CYP1A2 673/4885

“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.