SCHEMBL5003976

SCHEMBL5003976

NC(=O)CNCCOc1ccc(Cl)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.56
DRD4 P21917 5/20 0.55
DRD2 P14416 4/20 0.55
DRD3 P35462 4/20 0.55
NPC1 O15118 1/20 0.50
CYP1A2 P05177 1/20 0.48
KMT2A Q03164 1/20 0.46
ATM Q13315 1/20 0.46
RHOC P08134 1/20 0.45
RHOA P61586 1/20 0.45
MAPT P10636 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
EGLN1 Q9GZT9 1/20 0.44
EGLN3 Q9H6Z9 1/20 0.44
HRH3 Q9Y5N1 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
Hydrochloric Acid SCHEMBL5004496 0.98 TAAR1 (0.55) TAAR1DRD4DRD2DRD3NPC1
SCHEMBL16220812 0.83 DRD4 (0.59) DRD4DRD2DRD3NPC1CYP1A2
Hydrochloric Acid SCHEMBL5007301 0.80 MMP3 (0.53) KMT2AMAPT
SCHEMBL5736332 0.79 TDP1 (0.55) NPC1CYP1A2MAPTL3MBTL1
SCHEMBL6237097 0.78 LMNA (0.48) NPC1
Hydrochloric Acid SCHEMBL5000643 0.78 TDP1 (0.54) NPC1CYP1A2MAPTL3MBTL1
SCHEMBL6851369 0.78 KMT2A (0.58) CYP1A2KMT2A
SCHEMBL4689283 0.78 CYP1A2 (0.54) NPC1CYP1A2KMT2AL3MBTL1HRH3
Hydrochloric Acid SCHEMBL7757375 0.77 DRD2 (0.61) DRD4DRD2DRD3NPC1KMT2A
SCHEMBL12461902 0.77 MMP3 (0.53) MAPT

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 TAAR1 4825/4885DRD4 4862/4885DRD2 4867/4885

“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.