SCHEMBL5003979

SCHEMBL5003979

NCCNCCOc1ccc(Cl)cc1

nearest known ligand 0.72

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 17/20 0.72
DRD2 P14416 16/20 0.72
DRD3 P35462 14/20 0.72
TAAR1 Q96RJ0 1/20 0.54
CARM1 Q86X55 1/20 0.51
ALDH1A1 P00352 1/20 0.49

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 SCHEMBL5003814 0.98 DRD4 (0.70) DRD4DRD2DRD3TAAR1CARM1
Hydrochloric Acid SCHEMBL8042255 0.82 DRD4 (0.97) DRD4DRD2DRD3TAAR1
SCHEMBL1249273 0.82 MAOB (0.53) DRD4DRD2DRD3ALDH1A1
SCHEMBL16964935 0.81 DRD4 (0.70) DRD4DRD2DRD3CARM1ALDH1A1
SCHEMBL10576211 0.81 DRD4 (0.81) DRD4DRD2DRD3TAAR1
Hydrochloric Acid SCHEMBL8055046 0.81 DRD4 (0.97) DRD4DRD2DRD3TAAR1
Hydrochloric Acid SCHEMBL8055016 0.81 DRD4 (0.97) DRD4DRD2DRD3
Hydrochloric Acid SCHEMBL8057879 0.81 DRD4 (0.97) DRD4DRD2DRD3TAAR1ALDH1A1
SCHEMBL4028552 0.80 ALDH3A1 (0.53) DRD4DRD2DRD3ALDH1A1
Hydrochloric Acid SCHEMBL1534353 0.80 MAOB (0.55) DRD4DRD2DRD3

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-7414063-B2 Inhibitors of Akt (protein kinase B) ELI LILLY AND COMPANY (US) 2008-08-19 US disclosed
US-20070043040-A1 Inhibitors of akt (protein kinase b) ELI LILLY AND COMPANY 2007-02-22 US disclosed
EP-1611105-A1 ISOQUINOLINE-5-SULFONIC ACID AMIDES AS INHIBITORS OF AKT (PROTEIN KINASE B) ELI LILLY AND COMPANY (US) 2006-01-04 EP disclosed
WO-2004094386-A1 ISOQUINOLINE-5-SULFONIC ACID AMIDES AS INHIBITORS OF AKT (PROTEIN KINASE B) ELI LILLY AND COMPANY (US) 2004-11-04 WO 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-20070043040-A1 Inhibitors of akt (protein kinase b) AKT1, AKT2, BRAF DRD4 4862/4885DRD2 4867/4885DRD3 4873/4885

“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.