SCHEMBL27039554

SCHEMBL27039554

O=C1CCC(O)(c2ccc(C3CCNCC3)cc2)C(=O)N1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 2/20 0.41
DDB1 Q16531 1/20 0.41
CYP19A1 P11511 5/20 0.40
SLC18A3 Q16572 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
TBXAS1 P24557 2/20 0.39
HTR2C P28335 2/20 0.39
QDPR P09417 1/20 0.39
NAMPT P43490 1/20 0.35
ESR2 Q92731 2/20 0.34
CYP3A4 P08684 2/20 0.33
HTR3A P46098 1/20 0.33
CYP17A1 P05093 1/20 0.33
CYP11A1 P05108 1/20 0.33
PMP22 Q01453 1/20 0.33
PDE4D Q08499 1/20 0.33
PDE3A Q14432 1/20 0.33
NFKB1 P19838 1/20 0.33
PARP1 P09874 1/20 0.33

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
SCHEMBL29197784 0.81 DDB1 (0.41) CRBNDDB1CYP19A1SLC18A3SIGMAR1
SCHEMBL27073454 0.81 HTR2C (0.42) CRBNDDB1CYP19A1SLC18A3SIGMAR1
SCHEMBL24881330 0.81 HTR2C (0.42) CRBNDDB1CYP19A1SLC18A3SIGMAR1
Hydrochloric Acid SCHEMBL27039727 0.80 DDB1 (0.41) CRBNDDB1CYP19A1SLC18A3SIGMAR1
Hydrochloric Acid SCHEMBL27039678 0.80 HTR2C (0.43) CRBNDDB1CYP19A1SLC18A3SIGMAR1
Hydrochloric Acid SCHEMBL27039730 0.80 DDB1 (0.41) CRBNDDB1CYP19A1SLC18A3SIGMAR1
Hydrochloric Acid SCHEMBL27039679 0.80 HTR2C (0.43) CRBNDDB1CYP19A1SLC18A3SIGMAR1
Trifluoroacetic Acid SCHEMBL30112460 0.75 HTR2C (0.41) CRBNDDB1SLC18A3SIGMAR1HTR2C
SCHEMBL27039365 0.75 DDB1 (0.55) CRBNDDB1NAMPT
SCHEMBL24880625 0.73 SLC18A3 (0.38) CRBNDDB1SLC18A3SIGMAR1HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4558495-A1 HETEROARYL COMPOUNDS AS LIGAND DIRECTED DEGRADERS OF IRAK4 Bristol-Myers Squibb Company (US) 2025-05-28 EP disclosed
US-20240109881-A1 Heteroaryl Compounds as Ligand Directed Degraders of IRAK4 BRISTOL-MYERS SQUIBB COMPANY (US) 2024-04-04 US disclosed
WO-2024020084-A1 HETEROARYL COMPOUNDS AS LIGAND DIRECTED DEGRADERS OF IRAK4 BRISTOL-MYERS SQUIBB COMPANY (US) 2024-01-25 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-20240109881-A1 Heteroaryl Compounds as Ligand Directed Degraders of IRAK4 IRAK4, IRAK2, IRAK3 CRBN 184/4885DDB1 291/4885CYP19A1 3212/4885

“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.