SCHEMBL709502

SCHEMBL709502

NN1CCC(c2ccccc2)c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EEF2K O00418 1/20 0.41
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
RGS12 O14924 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
ALOX12 P18054 1/20 0.39
NFKB1 P19838 1/20 0.39
HTR2A P28223 1/20 0.39
MAPK1 P28482 1/20 0.39
ADRA1A P35348 1/20 0.39
PTGS2 P35354 1/20 0.39
HRH1 P35367 1/20 0.39
OPRM1 P35372 1/20 0.39
GNAI1 P63096 1/20 0.39
KCNH2 Q12809 1/20 0.39

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
SCHEMBL11804600 0.74 CHRM2 (0.49)
SCHEMBL19659716 0.74 RIPK1 (0.36) LMNACYP1A2CYP2D6
SCHEMBL11751501 0.71 MGLL (0.45) SLC6A2SLC6A4SLC6A3CYP2D6ADRA1A
SCHEMBL11434562 0.71 SLC6A2 (0.52) EEF2KSLC6A2SLC6A4SLC6A3LMNA
SCHEMBL4347105 0.70 EEF2K (0.43) EEF2K
SCHEMBL8459602 0.70 HRH3 (0.36) SLC6A2SLC6A4SLC6A3ADRA1AOPRM1
SCHEMBL11602931 0.70 DRD1 (0.39) SLC6A2SLC6A4SLC6A3HTR2A
Hydrochloric Acid SCHEMBL11600984 0.69 DRD1 (0.40) SLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL7834022 0.67 TSHR (0.49) EEF2KSLC6A2SLC6A4SLC6A3
SCHEMBL13068262 0.66 NOTUM (0.53) SLC6A2SLC6A4SLC6A3RGS12LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124621-B2 Substituted 1-amino-4-phenyl-dihydroisoquinolines, methods for the production thereof, use thereof as a medicament, and medicaments containing them SANOFI-AVENTIS (FR) 2012-02-28 US disclosed
US-20090118327-A1 SUBSTITUTED 1-AMINO-4-PHENYL-DIHYDROISOQUINOLINES, METHODS FOR THE PRODUCTION THEREOF, USE THEREOF AS A MEDICAMENT, AND MEDICAMENTS CONTAINING THEM SANOFI-AVENTIS (FR) 2009-05-07 US 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-20090118327-A1 SUBSTITUTED 1-AMINO-4-PHENYL-DIHYDROISOQUINOLINES, METHODS FOR THE PRODUCTION THEREOF, USE THEREOF AS A MEDICAMENT, AND MEDICAMENTS CONTAINING THEM NDUFAB1, ABCB11, SLC10A1 EEF2K 2216/4885SLC6A2 169/4885SLC6A4 302/4885

“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.