SCHEMBL23320045

SCHEMBL23320045

C=C(C)c1c(N)c(C(C)CC)cc(C#N)c1F

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
TSHR P16473 1/20 0.31

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
SCHEMBL23320083 0.78 ADRB2 (0.34) ADRB2ADRB1
SCHEMBL23320013 0.78 ADRB2 (0.34) ADRB2ADRB1
SCHEMBL23319806 0.77 ADRB2 (0.34) ADRB2ADRB1
SCHEMBL29909992 0.76 ADRB2 (0.31) ADRB2ADRB1
SCHEMBL20698784 0.76 ADRB2 (0.31) ADRB2ADRB1
SCHEMBL20681063 0.70
SCHEMBL23320084 0.70 ADRB2 (0.39) ADRB2ADRB1TSHR
SCHEMBL22282345 0.69
SCHEMBL29910052 0.67 ALDH1A1 (0.42) ADRB2ADRB1TSHR
SCHEMBL23320025 0.66 MAPK1 (0.32)

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-20220267276-A1 NLRP MODULATORS NOVARTIS INFLAMMASOME RESEARCH, INC. 2022-08-25 US disclosed
EP-3817817-A1 NLRP MODULATORS Novartis AG (CH) 2021-05-12 EP disclosed
CN-112584899-A NLRP modulators 诺华股份有限公司 2021-03-30 CN 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-20220267276-A1 NLRP MODULATORS NLRP1, NRP1, NR4A3 ADRB2 244/4885ADRB1 142/4885TSHR 2357/4885

“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.