SCHEMBL6854432

SCHEMBL6854432

COc1ccc(COc2nn(CCN(C(C)C)C(C)C)c3ccccc23)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 1.00
BCHE P06276 4/20 1.00
ACHE P22303 3/20 0.68
CNR1 P21554 8/20 0.68
GABRA1 P14867 2/20 0.45
GABRG2 P18507 2/20 0.45
GABRB3 P28472 2/20 0.45
GABRA5 P31644 2/20 0.45
GABRA3 P34903 2/20 0.45
GABRA2 P47869 2/20 0.45
KDM4E B2RXH2 1/20 0.42
GUCY1B2 O75343 1/20 0.42
CYP1A2 P05177 1/20 0.42
CHRM2 P08172 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
CYP2D6 P10635 1/20 0.42
CHRM1 P11229 1/20 0.42
DRD1 P21728 1/20 0.42
SLC6A2 P23975 1/20 0.42

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
SCHEMBL9917500 0.81 CNR2 (1.00) CNR2BCHEACHECNR1GABRA1
SCHEMBL27800056 0.71 CNR2 (0.80) CNR2BCHEACHECNR1KDM4E
SCHEMBL9917511 0.69 CNR2 (0.67) CNR2BCHEACHECNR1KDM4E
SCHEMBL9917496 0.68 CNR2 (0.65) CNR2BCHEACHECNR1KDM4E
SCHEMBL9917403 0.67 CNR2 (0.81) CNR2BCHEACHECNR1GABRA1
SCHEMBL27578623 0.65 CNR2 (0.70) CNR2BCHEACHECNR1KDM4E
SCHEMBL516208 0.65 CNR2 (0.66) CNR2BCHEACHECNR1KDM4E
SCHEMBL19793130 0.65 CNR2 (0.66) CNR2BCHEACHECNR1KDM4E
SCHEMBL28045003 0.65 CNR2 (0.68) CNR2BCHEACHECNR1KDM4E
SCHEMBL21872251 0.64 CNR2 (0.48) CNR2BCHECNR1GABRA1GABRG2

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-20200281897-A1 INDAZOLE DERIVATIVES FOR CANCER TREATMENT SERVICIO ANDALUZ DE SALUD (ES) 2020-09-10 US claimed
US-20200281897-A1 INDAZOLE DERIVATIVES FOR CANCER TREATMENT SERVICIO ANDALUZ DE SALUD (ES) 2020-09-10 US disclosed
WO-2011039388-A2 3-INDAZOLYL ETHER FAMILY WITH CANNABINOID AND/OR CHOLINERGIC PROPERTIES UNIVERSIDAD REY JUAN CARLOS (ES) 2011-04-07 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-20200281897-A1 INDAZOLE DERIVATIVES FOR CANCER TREATMENT MCL1, IDH3A, IDH3B CNR2 3591/4885BCHE 2484/4885ACHE 2201/4885

“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.