SCHEMBL31637366

SCHEMBL31637366

CC(C)(C)OC(=O)N1CCC(Cn2cnc3cc(Cl)nnc32)CC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.42
BACE1 P56817 1/20 0.41
GPR119 Q8TDV5 5/20 0.41
USP7 Q93009 3/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
BRD4 O60885 1/20 0.40
CDK9 P50750 1/20 0.40
STS P08842 3/20 0.40
HCAR1 Q9BXC0 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
SCHEMBL31637372 0.94 USP7 (0.41) FAAHGPR119USP7JAK2JAK1
SCHEMBL31637295 0.88 FEN1 (0.43) BACE1JAK2JAK1BRD4HCAR1
SCHEMBL31637282 0.85 BRD4 (0.40) BRD4
SCHEMBL31637365 0.82 USP1 (0.40) GPR119JAK2JAK1CDK9
SCHEMBL31637159 0.82 TGFBR1 (0.44) FAAHBACE1GPR119KDM4EPKM
SCHEMBL31637176 0.79 YTHDC1 (0.37) CDK9
SCHEMBL12537437 0.78 YTHDC1 (0.46) FAAHBACE1GPR119USP7KDM4E
SCHEMBL4768843 0.77 KDM4E (0.51) FAAHBACE1GPR119USP7KDM4E
SCHEMBL12984965 0.76 CDK9 (0.43) FAAHBACE1GPR119USP7KDM4E
SCHEMBL31637347 0.76 CYP2D6 (0.35)

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-20250206745-A1 PYRROLOPYRIDAZINE DERIVATIVES AND RELATED USES NODTHERA LTD (GB) 2025-06-26 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-20250206745-A1 PYRROLOPYRIDAZINE DERIVATIVES AND RELATED USES IL1B, NLRP3, NLRP1 FAAH 3308/4885BACE1 1299/4885GPR119 3657/4885

“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.