SCHEMBL30066376

SCHEMBL30066376

O=C1CCN(c2cc(C(=O)N3CCC(CN4CCNCC4)CC3)ccc2F)C(=O)N1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 1/20 0.39
▸ MGLL Q99685 4/20 0.37
▸ PDE4B Q07343 2/20 0.37
▸ HTR2A P28223 3/20 0.36
▸ DRD2 P14416 2/20 0.36
▸ HTR2C P28335 2/20 0.36
▸ HTR2B P41595 2/20 0.36
▸ SIGMAR1 Q99720 2/20 0.36
▸ SOS1 Q07889 1/20 0.35
▸ FAAH O00519 2/20 0.35
▸ CCR2 P41597 1/20 0.35
▸ PARP1 P09874 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
SCHEMBL24671840 1.00 HSD11B1 (0.39) HSD11B1MGLLPDE4BHTR2ADRD2
SCHEMBL30816873 0.92 SOS1 (0.41) SOS1
SCHEMBL30009715 0.89 MGLL (0.38) HSD11B1MGLL
SCHEMBL23121762 0.89 MGLL (0.38) HSD11B1MGLL
SCHEMBL24670709 0.88 PDE4B (0.46) HSD11B1MGLLPDE4BFAAH
SCHEMBL30066197 0.88 PDE4B (0.46) HSD11B1MGLLPDE4BFAAH
Hydrochloric Acid SCHEMBL23121946 0.88 MGLL (0.37) HSD11B1MGLL
Hydrochloric Acid SCHEMBL30009282 0.88 MGLL (0.37) HSD11B1MGLL
SCHEMBL31447662 0.86 SOS1 (0.44) HSD11B1SOS1
SCHEMBL31447872 0.83 DDB1 (0.45) DRD2SIGMAR1PARP1

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
US-20240279202-A1 COMPOUNDS FOR INHIBITING OR DEGRADING ITK, COMPOSITIONS, COMPRISING THE SAME METHODS OF THEIR MAKING AND METHODS OF THEIR USE NURIX THERAPEUTICS, INC. 2024-08-22 — — US disclosed
EP-4334303-A1 COMPOUNDS FOR INHIBITING OR DEGRADING ITK, COMPOSITIONS, COMPRISING THE SAME METHODS OF THEIR MAKING AND METHODS OF THEIR USE Nurix Therapeutics, Inc. (US) 2024-03-13 — — EP disclosed
WO-2022235715-A1 COMPOUNDS FOR INHIBITING OR DEGRADING ITK, COMPOSITIONS, COMPRISING THE SAME METHODS OF THEIR MAKING AND METHODS OF THEIR USE NURIX THERAPEUTICS, INC. (US) 2022-11-10 — — 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-20240279202-A1 COMPOUNDS FOR INHIBITING OR DEGRADING ITK, COMPOSITIONS, COMPRISING THE SAME METHODS OF THEIR MAKING AND METHODS OF THEIR USE ITK, NFATC1, TNIK HSD11B1 2146/4885MGLL 1527/4885PDE4B 3160/4885

“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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