SCHEMBL26646689

SCHEMBL26646689

C[C@@H]1C=C(c2cn(C(=O)OC(C)(C)C)c3ncccc23)CNC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.49
▸ HTR2C P28335 1/20 0.49
▸ HTR2B P41595 1/20 0.49
▸ DDB1 Q16531 1/20 0.39
▸ CRBN Q96SW2 1/20 0.39
▸ ELANE P08246 9/20 0.38
▸ BRD4 O60885 1/20 0.37
▸ CREBBP Q92793 1/20 0.37
▸ PIM1 P11309 1/20 0.36
▸ MARK3 P27448 1/20 0.36
▸ MAP4K2 Q12851 1/20 0.36
▸ CAMK2B Q13554 1/20 0.36
▸ PIM3 Q86V86 1/20 0.36
▸ PIM2 Q9P1W9 1/20 0.36
▸ CCNB2 O95067 1/20 0.35
▸ CDK1 P06493 1/20 0.35
▸ CCNB1 P14635 1/20 0.35
▸ CCNB3 Q8WWL7 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ DTYMK P23919 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
SCHEMBL26646679 1.00 HTR2A (0.49) HTR2AHTR2CHTR2BDDB1CRBN
SCHEMBL25427911 1.00 HTR2A (0.49) HTR2AHTR2CHTR2BDDB1CRBN
SCHEMBL19659912 0.79 ELANE (0.38) DDB1CRBNELANEBRD4CREBBP
SCHEMBL25425618 0.78 DDB1 (0.38) DDB1CRBNELANEPIM1MARK3
SCHEMBL26646686 0.78 ACHE (0.45) DDB1CRBNELANEBRD4CREBBP
SCHEMBL30532658 0.78 ACHE (0.45) DDB1CRBNELANEBRD4CREBBP
SCHEMBL30532648 0.77 HTR2A (0.39) HTR2AHTR2CHTR2BDDB1CRBN
SCHEMBL25427652 0.74 DDB1 (0.35) DDB1CRBNELANEBRD4CREBBP
SCHEMBL25286384 0.73 DTYMK (0.42) DDB1CRBNELANEPIM1MARK3
SCHEMBL4879856 0.73 HTR6 (0.56) —

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-20230365542-A1 Selective Agonists of 5-HT2A Receptor and Methods of Use THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-11-16 — — US disclosed
CN-116546984-A Selective agonists of 5-HT2A receptors and methods of use thereof 耶鲁大学 2023-08-04 — — CN 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-20230365542-A1 Selective Agonists of 5-HT2A Receptor and Methods of Use HTR2A, HTR2C, HTR2B HTR2A 1/4885HTR2C 2/4885HTR2B 3/4885

“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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