SCHEMBL12913013

SCHEMBL12913013

C=CCOc1nn(CC(C)C)c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 9/20 0.45
▸ CNR1 P21554 7/20 0.45
▸ ACHE P22303 2/20 0.45
▸ BCHE P06276 5/20 0.42
▸ CHRM2 P08172 2/20 0.41
▸ CHRM1 P11229 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ GUCY1B2 O75343 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ HTR1A P08908 1/20 0.41
▸ ADRA2A P08913 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ DRD1 P21728 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ GUCY1A2 P33402 1/20 0.41
▸ ADRA1A P35348 1/20 0.41
▸ OPRM1 P35372 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41

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
SCHEMBL12913017 0.91 CNR2 (0.42) CNR2CNR1ACHEBCHECHRM2
SCHEMBL12913014 0.81 CNR2 (0.70) CNR2CNR1ACHECHRM2CHRM1
SCHEMBL7808408 0.77 CNR2 (0.45) CNR2CNR1ACHEBCHECHRM2
SCHEMBL7818113 0.76 CNR1 (0.56) CNR2CNR1ACHECHRM2CHRM1
SCHEMBL7808406 0.76 MAPT (0.37) CNR2CNR1ACHEBCHECHRM2
SCHEMBL7822340 0.74 CNR2 (0.53) CNR2CNR1ACHEBCHECHRM2
SCHEMBL19675194 0.72 GLS (0.60) CHRM2CHRM1KDM4EPOLBMAPT
SCHEMBL16772015 0.70 CASP3 (0.42) KDM4EMAPTATM
SCHEMBL12912991 0.70 CYP3A4 (0.41) ACHEBCHEBLM
SCHEMBL7815982 0.70 CNR2 (0.57) CNR2CNR1ACHEBCHECHRM2

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-7868184-B2 Multicore indazolinone library The University of the University of St. Andrews (GB) 2011-01-11 — — US disclosed
US-20070179294-A1 Multicore indazolinone library THE UNIVERSITY COURT OF THE UNIVERSITY OF ST ANDREWS (GB) 2007-08-02 — — 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-20070179294-A1 Multicore indazolinone library IPMK, TTK, IWS1 CNR2 4589/4885CNR1 4660/4885ACHE 1206/4885

“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.

Send feedback