SCHEMBL4609609

SCHEMBL4609609

CC(CSc1nnc(N)s1)CN1CCN(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.46
MAPT P10636 4/20 0.45
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPK1 P28482 2/20 0.45
HTR1A P08908 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
TSHR P16473 1/20 0.45
NFKB1 P19838 1/20 0.45
CYP2C19 P33261 1/20 0.45
THPO P40225 1/20 0.45
MTOR P42345 1/20 0.45
BLM P54132 1/20 0.45
PMP22 Q01453 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
DHFR P00374 2/20 0.45
SIGMAR1 Q99720 2/20 0.43
LMNA P02545 2/20 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
Hydrochloric Acid SCHEMBL7323720 0.82 HTR1A (0.53) MAPTALDH1A1SMN1; SMN2MAPK1HTR1A
SCHEMBL11284379 0.74 IGF1R (0.60) IGF1RMAPTALDH1A1SMN1; SMN2MAPK1
Hydrochloric Acid SCHEMBL7318524 0.73 HTR1A (0.62) MAPTALDH1A1SMN1; SMN2MAPK1HTR1A
SCHEMBL4037828 0.72 IGF1R (0.60) IGF1RMAPTALDH1A1SMN1; SMN2MAPK1
Hydrochloric Acid SCHEMBL8576435 0.71 IGF1R (0.65) IGF1RMAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL4609182 0.71 SIGMAR1 (0.62) MAPTALDH1A1SMN1; SMN2MAPK1HTR1A
SCHEMBL11460456 0.70 IGF1R (0.70) IGF1RMAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL13875132 0.69 IGF1R (0.65) IGF1RMAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL4607941 0.69 GRIN2B (0.47) ALDH1A1
SCHEMBL8159579 0.68 SIGMAR1 (0.64) IGF1RMAPTALDH1A1SMN1; SMN2MAPK1

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 IGF1R 804/4885MAPT 1837/4885ALDH1A1 1176/4885

“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.