SCHEMBL16348220

SCHEMBL16348220

Cc1ccc(C(=O)C2CCOC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.59
▸ HTT P42858 1/20 0.55
▸ KMT2A Q03164 3/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ CYP2D6 P10635 2/20 0.54
▸ MGLL Q99685 2/20 0.46
▸ HSD11B1 P28845 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.43
▸ LMNA P02545 3/20 0.43
▸ DRD4 P21917 1/20 0.42
▸ DRD3 P35462 1/20 0.42
▸ MAPT P10636 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ KDM2B Q8NHM5 1/20 0.41
▸ CES2 O00748 1/20 0.41
▸ CES1 P23141 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
SCHEMBL22867785 0.90 HTT (0.53) POLBHTTKMT2AMEN1CYP2D6
SCHEMBL20134881 0.89 POLB (0.62) POLBHTTKMT2AMEN1CYP2D6
SCHEMBL19751086 0.82 RIPK1 (0.47) KMT2AMEN1MGLLHSD11B1
SCHEMBL16342269 0.82 MGLL (0.45) POLBKMT2AMEN1MGLLALDH1A1
SCHEMBL25251891 0.79 POLB (0.41) POLBHTTHSD11B1ALDH1A1MAPT
SCHEMBL728685 0.79 KMT2A (0.72) POLBHTTKMT2AMEN1CYP2D6
SCHEMBL8119800 0.76 KMT2A (0.68) POLBHTTKMT2AMEN1CYP2D6
Bicarbonate SCHEMBL11484457 0.76 KMT2A (0.68) POLBHTTKMT2AMEN1CYP2D6
SCHEMBL25668524 0.76 NAMPT (0.53) POLBALDH1A1MAPT
SCHEMBL507614 0.74 KMT2A (0.66) POLBHTTKMT2AMEN1CYP2D6

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
WO-2023125737-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF SILEXON AI TECHNOLOGY CO., LTD. (CN) 2023-07-06 — — WO disclosed
US-20140171427-A1 Heterocyclic chromene-spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-06-19 — — 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-20140171427-A1 Heterocyclic chromene-spirocyclic piperidine amides as modulators of ion channels KCNJ2, TRPV1, KCNJ1 POLB 4630/4885HTT 395/4885KMT2A 2425/4885

“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