SCHEMBL30456898

SCHEMBL30456898

CC(C)(C)OC(=O)N1CCC(c2cc3cc[nH]c3cn2)CC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.49
JAK1 P23458 1/20 0.49
TYK2 P29597 1/20 0.49
JAK3 P52333 1/20 0.49
GPR119 Q8TDV5 6/20 0.48
KDM4E B2RXH2 2/20 0.48
MAPT P10636 1/20 0.48
THRB P10828 1/20 0.48
TGFBR1 P36897 1/20 0.47
HTT P42858 1/20 0.47
HPGDS O60760 1/20 0.46
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
DDB1 Q16531 1/20 0.45
CRBN Q96SW2 1/20 0.45
PRMT5 O14744 2/20 0.45

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
SCHEMBL22576086 1.00 JAK2 (0.49) JAK2JAK1TYK2JAK3GPR119
SCHEMBL25229581 0.91 JAK2 (0.49) JAK2JAK1TYK2JAK3GPR119
SCHEMBL25229627 0.83 JAK1 (0.55) JAK2JAK1TYK2JAK3GPR119
SCHEMBL17677222 0.82 GPR119 (0.52) GPR119KDM4EMAPTTHRBHTT
SCHEMBL19839980 0.81 KDM4E (0.51) JAK2JAK1TYK2JAK3GPR119
SCHEMBL2521547 0.81 TGFBR1 (0.49) JAK2JAK1TYK2JAK3GPR119
SCHEMBL22467652 0.80 GPR119 (0.49) JAK2JAK1TYK2JAK3GPR119
SCHEMBL22576378 0.80 CKS1B (0.53) GPR119TGFBR1DDB1CRBN
SCHEMBL30501971 0.80 CKS1B (0.53) GPR119TGFBR1DDB1CRBN
SCHEMBL25231595 0.79 KDM4E (0.49) GPR119KDM4EMAPTTHRBHTT

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
CN-111699185-B 6-azaindole compounds 百时美施贵宝公司 2023-06-27 CN disclosed
US-20230183237-A1 COMPETITIVE AND NONCOMPETITIVE INHIBITORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M5 VANDERBILT UNIVERSITY 2023-06-15 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-20230183237-A1 COMPETITIVE AND NONCOMPETITIVE INHIBITORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M5 CHRM5, CHRM1, CHRM2 JAK2 2685/4885JAK1 2977/4885TYK2 1157/4885

“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.