SCHEMBL24076375

SCHEMBL24076375

CC(C)c1nn(CC(=O)N[C@H]2CC[C@H](O)CC2)c(=O)c2ccc(C(F)(F)F)cc12

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 3/20 0.59
▸ GPR139 Q6DWJ6 4/20 0.43
▸ BRD4 O60885 2/20 0.43
▸ CCRL2 O00421 1/20 0.43
▸ THRB P10828 2/20 0.41
▸ CCR2 P41597 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ AKR1B1 P15121 2/20 0.40
▸ GRIN1 Q05586 1/20 0.40
▸ GRIN2B Q13224 1/20 0.40
▸ TLR9 Q9NR96 1/20 0.40
▸ TLR8 Q9NR97 1/20 0.40
▸ TLR7 Q9NYK1 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40

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
SCHEMBL24076342 1.00 NLRP3 (0.59) NLRP3GPR139BRD4CCRL2THRB
SCHEMBL25748576 0.93 NLRP3 (0.59) NLRP3GPR139CCRL2THRBTDP1
SCHEMBL25748626 0.93 NLRP3 (0.61) NLRP3GPR139TDP1AKR1B1GRIN1
SCHEMBL25748603 0.93 NLRP3 (0.61) NLRP3GPR139TDP1AKR1B1GRIN1
SCHEMBL24076373 0.92 NLRP3 (0.60) NLRP3GPR139CCRL2CCR2AKR1B1
SCHEMBL24076330 0.92 NLRP3 (0.60) NLRP3GPR139CCRL2CCR2AKR1B1
SCHEMBL24076421 0.92 NLRP3 (0.60) NLRP3GPR139CCRL2CCR2AKR1B1
SCHEMBL25746476 0.92 NLRP3 (0.60) NLRP3GPR139TDP1ALDH1A1
SCHEMBL24076377 0.90 NLRP3 (0.57) NLRP3GPR139CCRL2THRBCCR2
SCHEMBL24076370 0.90 NLRP3 (0.57) NLRP3GPR139CCRL2THRBCCR2

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-20230202989-A1 COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2023-06-29 — — US disclosed
WO-2021239885-A1 COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2021-12-02 — — 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-20230202989-A1 COMPOUNDS NLRP3, NLRP1, IL1B NLRP3 1/4885GPR139 1471/4885BRD4 417/4885

“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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