SCHEMBL10109022

SCHEMBL10109022

Cc1cccc(C(C)c2cncn2C(C)(C)C)c1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 4/20 0.49
ADRA2B P18089 4/20 0.49
ADRA2C P18825 4/20 0.49
ADRA1A P35348 3/20 0.49
ADRA1B P35368 3/20 0.49
ADRA1D P25100 2/20 0.49
TSHR P16473 2/20 0.49
KCNH2 Q12809 1/20 0.49
TP53 P04637 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
SLC6A2 P23975 1/20 0.48
HTR7 P34969 1/20 0.48
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
TRPA1 O75762 1/20 0.31
ATM Q13315 1/20 0.31

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
SCHEMBL10124204 0.77 ADRA2A (0.46) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL31181857 0.77 ADRA2A (0.46) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL14400793 0.75 TDP1 (0.32) HSP90AA1HSP90AB1
SCHEMBL31181858 0.73 CYP11B1 (0.46) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL14000466 0.73 CYP11B1 (0.46) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL1484285 0.71 GAA (0.36) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL29047202 0.70 ADRA2A (0.40) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL19696510 0.70 TDP1 (0.31)
SCHEMBL1053969 0.69 TSHR (0.55) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL10109026 0.69 ADRA2A (0.40) ADRA2AADRA2BADRA2CADRA1AADRA1B

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-8101782-B2 Drug hybrid of rivastigmine or physostigmine with tranylcypromine, amoxapine, desipramine, nortriptyline, protriptyline, fluoxetine, fluvoxamine, paroxetine, duloxetine, betahistine, amlodipine, proylhexedrine, rimantadine, desloratadine; Alzheimer's disease; Parkinson's disease, impairment in memory COLUCID PHARMACEUTICALS, INC. (US) 2012-01-24 US disclosed
US-20080261950-A1 Compounds that inhibit cholinesterase COLUCID PHARMACEUTICALS, INC. (US) 2008-10-23 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-20080261950-A1 Compounds that inhibit cholinesterase ACHE, BCHE, CHAT ADRA2A 587/4885ADRA2B 788/4885ADRA2C 582/4885

“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.