SCHEMBL24728310

SCHEMBL24728310

CC(C)Nc1cc(NCCN)cc2[nH]ccc12

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HTR1B P28222 1/20 0.33
▸ AR P10275 1/20 0.30
▸ CDK2 P24941 1/20 0.30
▸ AOC1 P19801 1/20 0.30
▸ AOC3 Q16853 1/20 0.30

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
SCHEMBL24728146 0.81 CARM1 (0.32) HTR1B
SCHEMBL24728675 0.76 HTR2A (0.34) HTR1BAR
SCHEMBL13717311 0.67 CA12 (0.54) HTR1B
SCHEMBL5865645 0.67 IDO1 (0.47) CDK2
SCHEMBL22001217 0.66 MAPK1 (0.51) HTR1B
SCHEMBL18254474 0.66 AR (0.35) HTR1BAR
SCHEMBL24728224 0.65 NR3C1 (0.34) AR
SCHEMBL24728147 0.64 ZAP70 (0.32) —
SCHEMBL22817320 0.61 KARS1 (0.35) —
SCHEMBL18645244 0.60 ESR1 (0.48) —

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-20220388968-A1 INHIBITORS OF ERYTHROCYTE BAND 3 TYROSINE PHOSPHORYLATION AND USES THEREOF PURDUE RESEARCH FOUNDATION 2022-12-08 — — 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-20220388968-A1 INHIBITORS OF ERYTHROCYTE BAND 3 TYROSINE PHOSPHORYLATION AND USES THEREOF SPTBN1, CTTN, HBG1 HTR1B 4042/4885AR 4879/4885CDK2 505/4885

“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.

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