SCHEMBL10124490

SCHEMBL10124490

Cc1cc(C(C)(C)N)ccc1C(C)N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
HTT P42858 1/20 0.38
PDE2A O00408 6/20 0.36
CYP1A2 P05177 3/20 0.33
GRM1 Q13255 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ESR1 P03372 1/20 0.32
CYP2D6 P10635 2/20 0.31
CYP3A4 P08684 1/20 0.31
NFKB1 P19838 1/20 0.31
PNMT P11086 1/20 0.31
HTR1D P28221 1/20 0.31
POLB P06746 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
RORC P51449 1/20 0.30
HTR2A P28223 1/20 0.30

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
SCHEMBL12739064 0.86 POLB (0.40) LMNATP53HTTPDE2AMEN1
SCHEMBL21180449 0.84 PDE2A (0.49) LMNATP53HTTPDE2AHTR2A
SCHEMBL29472439 0.84 PDE2A (0.49) LMNATP53HTTPDE2AHTR2A
SCHEMBL10110134 0.78 SCN10A (0.44) LMNATP53HTTPDE2AGRM1
SCHEMBL307453 0.78 SCN10A (0.44) LMNATP53HTTPDE2AGRM1
Hydrochloric Acid SCHEMBL27755265 0.77 SCN10A (0.43) LMNATP53HTTPDE2AGRM1
Hydrochloric Acid SCHEMBL308871 0.75 SCN10A (0.42) LMNATP53HTTPDE2A
SCHEMBL6392204 0.74 LMNA (0.45) LMNATP53HTTPDE2ACYP1A2
SCHEMBL14168844 0.74 LMNA (0.45) LMNATP53HTTPDE2ACYP1A2
SCHEMBL14168846 0.74 LMNA (0.45) LMNATP53HTTPDE2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093402-B2 Benzimidazole derivatives ASTRAZENECA AB (SE) 2012-01-10 US disclosed
US-20110137045-A1 BENZIMIDAZOLE DERIVATIVES ASTRAZENECA AB (SE) 2011-06-09 US disclosed
WO-2008018827-A1 BENZIMIDAZOLE DERIVATIVES USEFUL IN TREATMENT OF VALLINOID RECEPTOR TRPV1 RELATED DISORDERS ASTRAZENECA AB (SE) 2008-02-14 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-20110137045-A1 BENZIMIDAZOLE DERIVATIVES OPRD1, OPRK1, SDHA LMNA 3182/4885TP53 4505/4885HTT 4313/4885

“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.