SCHEMBL22556982

SCHEMBL22556982

C=CCC(N[S+]([O-])C(C)(C)C)c1cccc(OC)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.39
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
CASR P41180 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35

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
SCHEMBL22952600 0.87 KDM4E (0.34) ALDH1A1
SCHEMBL22952607 0.87 KDM4E (0.34) ALDH1A1
SCHEMBL29440460 0.87 KDM4E (0.34) ALDH1A1
SCHEMBL28936693 0.87 KDM4E (0.34) ALDH1A1
SCHEMBL28711060 0.87 KDM4E (0.34) ALDH1A1
SCHEMBL28936695 0.87 KDM4E (0.34) ALDH1A1
SCHEMBL29440439 0.87 KDM4E (0.34) ALDH1A1
SCHEMBL4927218 0.84 AOC3 (0.43) AOC3CHRM2CHRM1CHRM3CASR
SCHEMBL20422038 0.84 SMN1; SMN2 (0.34) ALDH1A1CYP3A4CYP2D6
SCHEMBL21507531 0.84 ATM (0.36) AOC3ALDH1A1L3MBTL1

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-20220220125-A1 FUSED ISOINDOLIN-1-ONE DERIVATIVES USEFUL AS GRK2 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2022-07-14 US disclosed
WO-2020212434-A1 FUSED ISOINDOLIN-1-ONE DERIVATIVES USEFUL AS GRK2 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2020-10-22 WO 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-20220220125-A1 FUSED ISOINDOLIN-1-ONE DERIVATIVES USEFUL AS GRK2 INHIBITORS GRK2, GRK1, GRK3 AOC3 4220/4885CHRM2 2557/4885CHRM1 3092/4885

“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.