SCHEMBL5000232

SCHEMBL5000232

NCCNCCOc1ccc(Cl)cc1Oc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.54
DRD4 P21917 8/20 0.54
DRD3 P35462 5/20 0.54
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
LMNA P02545 3/20 0.46
ALDH1A1 P00352 1/20 0.46
HTR1A P08908 1/20 0.45
ADRA1D P25100 1/20 0.45
ADRA1A P35348 1/20 0.45
ADRA1B P35368 1/20 0.45
KDM4E B2RXH2 1/20 0.44
SLC6A4 P31645 1/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTT P42858 2/20 0.42

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
SCHEMBL5000228 0.83 L3MBTL1 (0.48) DRD2DRD4DRD3CYP1A2CYP3A4
SCHEMBL5990060 0.79 CYP1A2 (0.51) CYP1A2CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL5736337 0.79 LMNA (0.54) DRD2DRD4DRD3CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL5000645 0.77 LMNA (0.52) DRD2DRD4DRD3CYP1A2CYP3A4
SCHEMBL5003896 0.76 KDM4E (0.64) DRD4CYP1A2CYP2C9CYP2C19LMNA
Hydrochloric Acid SCHEMBL5004308 0.75 DRD2 (0.46) DRD2DRD4DRD3CYP1A2CYP3A4
SCHEMBL10576211 0.75 DRD4 (0.81) DRD2DRD4DRD3HTR1AADRA1D
SCHEMBL3790316 0.74 CYP1A2 (0.69) CYP1A2CYP3A4CYP2C9CYP2C19LMNA
Hydrochloric Acid SCHEMBL5533002 0.74 SMN1; SMN2 (0.51) DRD2DRD4DRD3CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL5004209 0.74 SMN1; SMN2 (0.51) DRD2DRD4DRD3CYP1A2CYP3A4

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 DRD2 4867/4885DRD4 4862/4885DRD3 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.