SCHEMBL26772182

SCHEMBL26772182

Cc1cc(N[C@@H]2CCCN(CCF)C2)nnc1-c1ccccc1O

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 12/20 0.61
IL1B P01584 10/20 0.59
CHRM1 P11229 1/20 0.52
KCNH2 Q12809 1/20 0.45
TNF P01375 1/20 0.45

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
SCHEMBL26772191 0.90 NLRP3 (0.67) NLRP3IL1BKCNH2TNF
SCHEMBL26772223 0.89 NLRP3 (0.75) NLRP3IL1BCHRM1KCNH2
SCHEMBL26647736 0.86 IL1B (0.77) NLRP3IL1BCHRM1
SCHEMBL26772298 0.82 IL1B (0.58) NLRP3IL1BKCNH2TNF
SCHEMBL26117671 0.81 NLRP3 (0.52) NLRP3IL1B
SCHEMBL25798121 0.81 NLRP3 (0.60) NLRP3IL1BCHRM1KCNH2TNF
SCHEMBL26117680 0.81 NLRP3 (0.52) NLRP3IL1B
SCHEMBL26772224 0.81 IL1B (0.59) NLRP3IL1BCHRM1TNF
SCHEMBL31057433 0.81 IL1B (0.77) NLRP3IL1BKCNH2TNF
Hydrochloric Acid SCHEMBL31057343 0.80 IL1B (0.76) NLRP3IL1BKCNH2TNF

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-20230365534-A1 MODULATORS OF NLRP3 INFLAMMASOME AND RELATED PRODUCTS AND METHODS Neumora Therapeutics, Inc. 2023-11-16 US disclosed
US-20230365534-A1 MODULATORS OF NLRP3 INFLAMMASOME AND RELATED PRODUCTS AND METHODS Neumora Therapeutics, Inc. 2023-11-16 US disclosed
WO-2023220408-A1 MODULATORS OF NLRP3 INFLAMMASOME AND RELATED PRODUCTS AND METHODS Neumora Therapeutics, Inc. (US) 2023-11-16 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-20230365534-A1 MODULATORS OF NLRP3 INFLAMMASOME AND RELATED PRODUCTS AND METHODS NLRP3, NLRP1, PYCARD NLRP3 1/4885IL1B 9/4885CHRM1 1598/4885

“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.