SCHEMBL21633720

SCHEMBL21633720

CCCCCCC(CCC)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.46
HTR2A P28223 1/20 0.45
CSNK1E P49674 1/20 0.44
SIGMAR1 Q99720 1/20 0.43
NAAA Q02083 2/20 0.42
OPRM1 P35372 2/20 0.42
OPRD1 P41143 2/20 0.42
OPRK1 P41145 2/20 0.42
OPRL1 P41146 2/20 0.42
CYSLTR2 Q9NS75 1/20 0.42
CYSLTR1 Q9Y271 1/20 0.42
AOC3 Q16853 1/20 0.41
KCNH2 Q12809 1/20 0.41
ASAH1 Q13510 1/20 0.41
CYP19A1 P11511 2/20 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
SCHEMBL4873076 1.00 NR1I2 (0.46) NR1I2HTR2ACSNK1ESIGMAR1NAAA
SCHEMBL7614200 1.00 NR1I2 (0.46) NR1I2HTR2ACSNK1ESIGMAR1NAAA
SCHEMBL31175819 1.00 NR1I2 (0.46) NR1I2HTR2ACSNK1ESIGMAR1NAAA
SCHEMBL1331317 1.00 NR1I2 (0.46) NR1I2HTR2ACSNK1ESIGMAR1NAAA
SCHEMBL8509029 1.00 NR1I2 (0.46) NR1I2HTR2ACSNK1ESIGMAR1NAAA
SCHEMBL3072581 1.00 NR1I2 (0.46) NR1I2HTR2ACSNK1ESIGMAR1NAAA
SCHEMBL4181323 1.00 NR1I2 (0.46) NR1I2HTR2ACSNK1ESIGMAR1NAAA
SCHEMBL5423814 0.98 SIGMAR1 (0.44) NR1I2HTR2ACSNK1ESIGMAR1NAAA
Fluoride SCHEMBL9717306 0.96 SIGMAR1 (0.43) NR1I2HTR2ACSNK1ESIGMAR1NAAA
SCHEMBL23849703 0.96 NR1I2 (0.49) NR1I2HTR2ACSNK1ESIGMAR1NAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230203064-A1 TRICYCLIC COMPOUNDS AS INHIBITORS OF NLRP3 JANSSEN PHARMACEUTICA NV (BE) 2023-06-29 US disclosed
CN-113167695-A Device for collecting volatile organic compounds 法国由内政部代表 2021-07-23 CN disclosed
WO-2020021969-A1 COMPOSITION, CURED PRODUCT, OPTICAL FILTER, AND PRODUCTION METHOD FOR CURED PRODUCT 株式会社ADEKA 2020-01-30 WO disclosed
CN-107636024-A Composition 株式会社艾迪科 2018-01-26 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-20230203064-A1 TRICYCLIC COMPOUNDS AS INHIBITORS OF NLRP3 NLRP3, NLRP1, NOD1 NR1I2 57/4885HTR2A 2407/4885CSNK1E 1644/4885

“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.