SCHEMBL25748943

SCHEMBL25748943

CC(C)c1nn(CC(=O)N[C@H]2COC[C@H](O)C2)c(=O)c2ccc(C(F)(F)F)cc12

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 3/20 0.55
▸ GPR139 Q6DWJ6 6/20 0.39
▸ GRIN1 Q05586 1/20 0.38
▸ GRIN2B Q13224 1/20 0.38
▸ AKR1B1 P15121 5/20 0.38
▸ CHRNA7 P36544 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ CCR2 P41597 1/20 0.36
▸ CCRL2 O00421 2/20 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
SCHEMBL24076953 1.00 NLRP3 (0.55) NLRP3GPR139GRIN1GRIN2BAKR1B1
SCHEMBL24076421 0.91 NLRP3 (0.60) NLRP3GPR139AKR1B1CHRNA7MAPT
SCHEMBL24076330 0.91 NLRP3 (0.60) NLRP3GPR139AKR1B1CHRNA7MAPT
SCHEMBL24076373 0.91 NLRP3 (0.60) NLRP3GPR139AKR1B1CHRNA7MAPT
SCHEMBL24076375 0.87 NLRP3 (0.59) NLRP3GPR139GRIN1GRIN2BAKR1B1
SCHEMBL24076342 0.87 NLRP3 (0.59) NLRP3GPR139GRIN1GRIN2BAKR1B1
SCHEMBL24076981 0.86 NLRP3 (0.55) NLRP3GPR139AKR1B1MAPTCCR2
SCHEMBL24077186 0.86 NLRP3 (0.55) NLRP3GPR139AKR1B1MAPTCCR2
SCHEMBL24076963 0.86 NLRP3 (0.55) NLRP3GPR139AKR1B1MAPTCCR2
SCHEMBL24076340 0.85 NLRP3 (0.59) NLRP3GPR139AKR1B1CHRNA7MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230202989-A1 COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2023-06-29 — — US 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 1471/4885GRIN1 567/4885

“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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