SCHEMBL22835504

SCHEMBL22835504

COc1ccc2c(c1)CN(C1CCC(CO)CC1)C2=O

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.53
SCN1A P35498 3/20 0.48
SCN5A Q14524 3/20 0.48
SCN9A Q15858 3/20 0.48
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
MAOB P27338 1/20 0.42
CYP2C9 P11712 1/20 0.41
ADRA1A P35348 1/20 0.41
HRH1 P35367 1/20 0.41

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
SCHEMBL22836449 0.90 HTR2A (0.47) MAOASCN1ASCN5ASCN9AHTR2A
SCHEMBL22849201 0.90 HTR2A (0.47) MAOASCN1ASCN5ASCN9AHTR2A
SCHEMBL26352717 0.90 HTR2A (0.47) MAOASCN1ASCN5ASCN9AHTR2A
SCHEMBL31409498 0.84 HTR2A (0.53) MAOASCN1ASCN5ASCN9AHTR2A
SCHEMBL13154008 0.84 HTR2C (0.59) MAOASCN1ASCN5ASCN9AHTR2A
SCHEMBL31312250 0.79 HTR2A (0.53) MAOASCN1ASCN5ASCN9AHTR2A
SCHEMBL31533425 0.79 HTR2A (0.55) MAOASCN1ASCN5ASCN9AHTR2A
SCHEMBL24607464 0.79 SCN1A (0.40) MAOASCN1ASCN5ASCN9A
SCHEMBL29502309 0.79 SCN1A (0.40) MAOASCN1ASCN5ASCN9A
Trifluoroacetic Acid SCHEMBL3089861 0.78 HTR2A (0.50) MAOASCN1ASCN5ASCN9AHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240059674-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2024-02-22 US disclosed
US-20230303526-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-09-28 US disclosed
US-20230069104-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-03-02 US disclosed
EP-3989966-A1 IRAK DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2022-05-04 EP disclosed
WO-2020264499-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2020-12-30 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 (3 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-20240059674-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 MAOA 2771/4885SCN1A 4737/4885SCN5A 4752/4885
US-20230069104-A1 IRAK DEGRADERS AND USES THEREOF IRAK4, IRAK2, IRAK3 MAOA 3748/4885SCN1A 4804/4885SCN5A 4785/4885
US-20230303526-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 MAOA 2771/4885SCN1A 4737/4885SCN5A 4752/4885

“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.