SCHEMBL12372948

SCHEMBL12372948

Cc1cn(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR2E1 Q9Y466 12/20 0.58
CYP2E1 P05181 1/20 0.45
CYP2A6 P11509 1/20 0.45
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP19A1 P11511 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
KCNH2 Q12809 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
NTRK1 P04629 1/20 0.39
DDR1 Q08345 1/20 0.39
NTRK3 Q16288 1/20 0.39
NTRK2 Q16620 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
SCHEMBL9609575 0.92 NR2E1 (0.71) NR2E1
SCHEMBL15315567 0.91 NR2E1 (0.54) NR2E1CYP2E1CYP2A6CYP1A2CYP3A4
SCHEMBL21902011 0.89 NR2E1 (0.51) NR2E1CYP2E1CYP2A6CYP1A2CYP3A4
SCHEMBL10183719 0.83 CYP2E1 (0.51) NR2E1CYP2E1CYP2A6CYP1A2CYP3A4
SCHEMBL22604349 0.83 CYP2E1 (0.51) NR2E1CYP2E1CYP2A6CYP1A2CYP3A4
SCHEMBL270618 0.81 CYP1A2 (0.53) NR2E1CYP2E1CYP2A6CYP1A2CYP3A4
SCHEMBL10104281 0.76 NR2E1 (0.73) NR2E1
SCHEMBL12907213 0.74 NR2E1 (0.45) NR2E1CYP2E1CYP2A6CYP1A2CYP3A4
SCHEMBL21950471 0.74 NR2E1 (0.69) NR2E1
SCHEMBL4454872 0.74 NR2E1 (0.69) NR2E1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110207741-A1 Activation of the Renin-Angiotensin System (RAS) and Sudden Cardiac Death THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2011-08-25 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-20110207741-A1 Activation of the Renin-Angiotensin System (RAS) and Sudden Cardiac Death GJA1, RASGRP1, RASGRP3 NR2E1 4029/4885CYP2E1 2627/4885CYP2A6 2816/4885

“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.