SCHEMBL24347487

SCHEMBL24347487

CC(C)C(=O)NC(C)c1cccc(C(C)(C)O)n1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNB1 Q14721 2/20 0.36
ACACB O00763 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
ADRB1 P08588 1/20 0.36
KCNA5 P22460 1/20 0.36
HCRTR1 O43613 4/20 0.36
HCRTR2 O43614 4/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
ADORA1 P30542 1/20 0.33
SYK P43405 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL22242020 0.87 ACACB (0.40) ACACBADRB1HCRTR1HCRTR2
SCHEMBL24347506 0.76 HCRTR1 (0.34) KCNB1SMN1; SMN2KCNA5HCRTR1HCRTR2
SCHEMBL24347354 0.76 HCRTR1 (0.39) SMN1; SMN2LMNAHCRTR1HCRTR2ALDH1A1
SCHEMBL14868372 0.76 ADRB1 (0.41) LMNAADRB1HCRTR1HCRTR2ALDH1A1
SCHEMBL29799828 0.74 SYK (0.36) ADRB1HCRTR1HCRTR2KMT2AMAPT
SCHEMBL24347482 0.72 ADORA2A (0.48) SMN1; SMN2HCRTR1HCRTR2MAPT
SCHEMBL29676316 0.72 ACACB (0.53) ACACBADRB1
SCHEMBL20889867 0.70 P2RX7 (0.38) HCRTR1HCRTR2SYKGAA
SCHEMBL19699482 0.70 ALDH1A1 (0.51) LMNAL3MBTL1ALDH1A1
SCHEMBL10311686 0.70 ALDH1A1 (0.51) LMNAL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220119367-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS INTEGRAL BIOSCIENCES PVT. LTD. (IN) 2022-04-21 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-20220119367-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS ADORA2A, ADORA3, ADORA1 KCNB1 2292/4885ACACB 3910/4885SMN1; SMN2 4476/4885

“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.