SCHEMBL20503243

SCHEMBL20503243

O=C(OC1CC1c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.50
CHRM4 P08173 2/20 0.50
CHRM1 P11229 2/20 0.50
CHRM3 P20309 2/20 0.50
SLC18A3 Q16572 1/20 0.50
CHRNA7 P36544 2/20 0.49
HTR3E A5X5Y0 2/20 0.46
HTR3B O95264 2/20 0.46
HTR3A P46098 2/20 0.46
HTR3D Q70Z44 2/20 0.46
HTR3C Q8WXA8 2/20 0.46
HSP90AB1 P08238 1/20 0.46
BCHE P06276 1/20 0.46
APOBEC3A P31941 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45
F2 P00734 1/20 0.45
LMNA P02545 1/20 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
SCHEMBL20897888 1.00 CHRM2 (0.50) CHRM2CHRM4CHRM1CHRM3SLC18A3
SCHEMBL8097764 0.83 HDAC4 (0.46) LMNA
SCHEMBL25568847 0.83 SLC18A3 (0.46) CHRM2CHRM4CHRM1CHRM3SLC18A3
SCHEMBL11458171 0.81 HDAC4 (0.44) LMNA
SCHEMBL18528995 0.80 BCHE (0.48) CHRM2CHRM4CHRM1CHRM3SLC18A3
SCHEMBL18528999 0.80 BCHE (0.48) CHRM2CHRM4CHRM1CHRM3SLC18A3
SCHEMBL18528997 0.80 BCHE (0.48) CHRM2CHRM4CHRM1CHRM3SLC18A3
SCHEMBL14714313 0.80 ALDH1A1 (0.50) LMNA
SCHEMBL14714314 0.80 ALDH1A1 (0.50) LMNA
SCHEMBL3170686 0.80 SMN1; SMN2 (0.50) SLC18A3

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-11390610-B2 Piperazine derivatives as MAGL inhibitors HOFFMANN-LA ROCHE INC. (US) 2022-07-19 US disclosed
EP-3377473-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX Pharmaceuticals, Inc. (US) 2018-09-26 EP 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-11390610-B2 Piperazine derivatives as MAGL inhibitors MAGI3, PYM1, MAG CHRM2 1758/4885CHRM4 3083/4885CHRM1 962/4885

“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.