SCHEMBL19227962

SCHEMBL19227962

CC(C)c1cc(CC(C)c2ccccc2)ccn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C2 P08235 4/20 0.56
▸ MAOA P21397 4/20 0.42
▸ MAOB P27338 4/20 0.42
▸ NISCH Q9Y2I1 4/20 0.42
▸ TAAR1 Q96RJ0 3/20 0.39
▸ ALDH1A1 P00352 1/20 0.37
▸ SLC6A2 P23975 2/20 0.37
▸ SLC6A4 P31645 2/20 0.37
▸ SLC6A3 Q01959 1/20 0.37
▸ TRPA1 O75762 1/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ HTR2C P28335 1/20 0.37
▸ HTR2B P41595 1/20 0.37
▸ ESR1 P03372 1/20 0.36
▸ ESR2 Q92731 1/20 0.36
▸ AOC3 Q16853 1/20 0.36
▸ CHRM2 P08172 1/20 0.36
▸ SCN1A P35498 1/20 0.36
▸ SCN2A Q99250 1/20 0.36
▸ SCN3A Q9NY46 1/20 0.36

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
SCHEMBL22844051 0.87 NR3C2 (0.43) NR3C2SLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL20694181 0.85 NR3C2 (0.42) NR3C2ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL18683654 0.82 NR3C2 (0.46) NR3C2MAOAMAOBNISCHTAAR1
SCHEMBL12120626 0.79 GABRA1 (0.40) NR3C2HTR2AHTR2CHTR2B
SCHEMBL20667407 0.79 NR3C2 (0.38) NR3C2ESR1ESR2
SCHEMBL21937868 0.78 KDM4E (0.40) NR3C2TAAR1ALDH1A1
SCHEMBL22639289 0.76 ESR1 (0.36) NR3C2ALDH1A1ESR1ESR2
SCHEMBL25744955 0.76 HTR2A (0.33) NR3C2HTR2AHTR2CHTR2B
SCHEMBL25135962 0.76 NR3C2 (0.36) NR3C2ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL26364364 0.76 NR3C2 (0.35) NR3C2

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-20190023689-A1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE HIGH GREAT INVESTMENT LIMITED (HK) 2019-01-24 — — US disclosed
US-9783555-B2 Beta-lactamase inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2017-10-10 — — US disclosed
US-20170226135-A1 BETA-LACTAMASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-08-10 — — 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 (2 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-20190023689-A1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE EGFR, ERBB3, ERBB2 NR3C2 1321/4885MAOA 3787/4885MAOB 3153/4885
US-20170226135-A1 BETA-LACTAMASE INHIBITORS MGAM, GAA, LCT NR3C2 4513/4885MAOA 206/4885MAOB 228/4885

“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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