SCHEMBL5004402

SCHEMBL5004402

NCCNCCOc1ccccc1Cc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 9/20 0.70
HPGD P15428 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
HTR1A P08908 4/20 0.67
ADRA1D P25100 4/20 0.67
ADRA1A P35348 4/20 0.67
ADRA1B P35368 4/20 0.67
TP53 P04637 1/20 0.64
CYP1A2 P05177 1/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2C9 P11712 1/20 0.64
TSHR P16473 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
LMNA P02545 1/20 0.62
DRD1 P21728 5/20 0.54
DRD2 P14416 4/20 0.54
DRD4 P21917 4/20 0.54
DRD5 P21918 4/20 0.54
DRD3 P35462 4/20 0.52

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
SCHEMBL11033196 0.85 HPGD (0.81) HRH1HPGDSMN1; SMN2HTR1AADRA1D
SCHEMBL9271263 0.84 HRH1 (0.69) HRH1HPGDSMN1; SMN2HTR1AADRA1D
SCHEMBL5145157 0.84 HPGD (0.78) HRH1HPGDSMN1; SMN2HTR1AADRA1D
SCHEMBL11031853 0.84 HPGD (0.96) HRH1HPGDSMN1; SMN2HTR1AADRA1D
Hydrochloric Acid SCHEMBL5007390 0.84 HRH1 (0.78) HRH1HPGDSMN1; SMN2HTR1AADRA1D
Hydrochloric Acid SCHEMBL11631075 0.83 HPGD (0.81) HRH1HPGDSMN1; SMN2HTR1AADRA1D
SCHEMBL11629837 0.83 HRH1 (1.00) HRH1HPGDSMN1; SMN2HTR1AADRA1D
Hydrochloric Acid SCHEMBL5007389 0.82 HTR1A (0.60) HRH1HPGDSMN1; SMN2HTR1AADRA1D
SCHEMBL11752036 0.82 HRH1 (0.75) HRH1HPGDSMN1; SMN2HTR1AADRA1D
Hydrochloric Acid SCHEMBL11749025 0.81 HRH1 (0.97) HRH1HPGDSMN1; SMN2HTR1AADRA1D

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 HRH1 3593/4885HPGD 3799/4885SMN1; SMN2 2866/4885

“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.