SCHEMBL30272547

SCHEMBL30272547

CC(C)c1cccc(C2[C@H]3CNC[C@@H]23)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 1/20 0.43
▸ CHRNA4 P43681 1/20 0.43
▸ HDAC4 P56524 2/20 0.36
▸ HDAC8 Q9BY41 2/20 0.36
▸ ROCK2 O75116 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MDM4 O15151 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ TYR P14679 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ CA5A P35218 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ MDM2 Q00987 1/20 0.36

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
SCHEMBL25094188 0.86 CHRNB2 (0.49) CHRNB2CHRNA4HDAC4HDAC8ROCK2
SCHEMBL30272556 0.78 HPGD (0.43) CHRNB2CHRNA4ALDH1A1TYRHPGD
SCHEMBL8241673 0.77 HTR2C (0.50) HTR2C
SCHEMBL12278164 0.76 HTR2C (0.62) HTR2C
SCHEMBL15566600 0.76 HTR2C (0.43) HDAC4HDAC8KDM4EMDM4ALDH1A1
SCHEMBL30272560 0.76 GABRA1 (0.33) HTR2CHTR2AHTR2BSLC6A2SLC6A3
SCHEMBL19730617 0.76 DRD2 (0.57) HTR2CHTR2ASLC6A2SLC6A3
SCHEMBL24809401 0.74 DRD2 (0.40) HDAC4HDAC8KDM4EMDM4ALDH1A1
SCHEMBL7634263 0.73 HDAC4 (0.47) HDAC4HDAC8KDM4EMDM4ALDH1A1
SCHEMBL29942567 0.72 HTR2C (0.46) CHRNB2CHRNA4HDAC4HDAC8ROCK2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12502378-B2 Monoacylglycerol lipase modulators for use in autism spectrum disorders JANSSEN PHARMACEUTICA NV (BE) 2025-12-23 — — US disclosed
US-20240299365-A1 MONOACYLGLYCEROL LIPASE MODULATORS FOR USE IN AUTISM SPECTRUM DISORDERS JANSSEN PHARMACEUTICA NV (BE) 2024-09-12 — — US disclosed
US-11974987-B2 Monoacylglycerol lipase modulators for use in autism spectrum disorders JANSSEN PHARMACEUTICA NV (BE) 2024-05-07 — — US disclosed
US-20230382902-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2023-11-30 — — US disclosed
US-11708359-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-07-25 — — US disclosed
US-20230117611-A1 MONOACYLGLYCEROL LIPASE MODULATORS FOR USE IN AUTISM SPECTRUM DISORDERS JANSSEN PHARMACEUTICA NV (BE) 2023-04-20 — — 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 (6 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-11974987-B2 Monoacylglycerol lipase modulators for use in autism spectrum disorders LIPC, LPL, MGLL CHRNB2 357/4885CHRNA4 712/4885HDAC4 1024/4885
US-20240299365-A1 MONOACYLGLYCEROL LIPASE MODULATORS FOR USE IN AUTISM SPECTRUM DISORDERS LIPC, LPL, MGLL CHRNB2 357/4885CHRNA4 712/4885HDAC4 1024/4885
US-11708359-B2 Monoacylglycerol lipase modulators MGLL, LPL, LIPC CHRNB2 211/4885CHRNA4 270/4885HDAC4 680/4885
US-20230117611-A1 MONOACYLGLYCEROL LIPASE MODULATORS FOR USE IN AUTISM SPECTRUM DISORDERS LIPC, LPL, MGLL CHRNB2 357/4885CHRNA4 712/4885HDAC4 1024/4885
US-20230382902-A1 MONOACYLGLYCEROL LIPASE MODULATORS MGLL, LPL, LIPC CHRNB2 211/4885CHRNA4 270/4885HDAC4 680/4885
US-12502378-B2 Monoacylglycerol lipase modulators for use in autism spectrum disorders LIPC, LPL, MGLL CHRNB2 357/4885CHRNA4 712/4885HDAC4 1024/4885

“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