SCHEMBL5007359

SCHEMBL5007359

NCCNCCOc1ccc(Cl)cc1Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 1/20 0.46
SLC6A4 P31645 2/20 0.41
MRGPRX4 Q96LA9 2/20 0.41
TAAR1 Q96RJ0 1/20 0.41
HTR6 P50406 2/20 0.39
LMNA P02545 4/20 0.39
PTGER1 P34995 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
MAOB P27338 2/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
HPGD P15428 1/20 0.38
ADRA1D P25100 1/20 0.38

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
SCHEMBL5007353 0.87 MRGPRX4 (0.46) SCN8AMRGPRX4LMNAPTGER1KDM4E
Hydrochloric Acid SCHEMBL5004209 0.81 SMN1; SMN2 (0.51) LMNAPTGER1KDM4EALDH1A1MAPK1
Hydrochloric Acid SCHEMBL5533002 0.81 SMN1; SMN2 (0.51) LMNAPTGER1KDM4EALDH1A1MAPK1
SCHEMBL5000568 0.75 PTGDR2 (0.47) MRGPRX4LMNAPTGER1CNR1HPGD
SCHEMBL5737710 0.75 PRKACA (0.57) LMNAALDH1A1MAPK1
SCHEMBL14094582 0.75 PRKACA (0.41) HTR6LMNAPTGER1HPGD
SCHEMBL5736337 0.71 LMNA (0.54) MRGPRX4LMNAKDM4EALDH1A1MAOB
SCHEMBL22498231 0.70 CYP3A4 (0.50) LMNAPTGER1HPGD
SCHEMBL27626954 0.70 HIF1A (0.62) TAAR1LMNACNR1HTTHPGD
Hydrochloric Acid SCHEMBL5000645 0.70 LMNA (0.52) MRGPRX4LMNAKDM4EALDH1A1MAPK1

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 SCN8A 3581/4885SLC6A4 4522/4885MRGPRX4 4305/4885

“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.