SCHEMBL21904897

SCHEMBL21904897

Cn1ccc2c(c1=O)CNCC2

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PNMT P11086 10/20 0.42
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
PRCP P42785 1/20 0.39
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
CD44 P16070 1/20 0.37
MAOB P27338 1/20 0.37

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
SCHEMBL4793244 0.86 CD44 (0.42) PNMTCD44MAOB
SCHEMBL28948226 0.79 PNMT (0.39) PNMTADRA2AADRA2BADRA2CPRCP
SCHEMBL3079019 0.74 BCL2L1 (0.39)
SCHEMBL16650011 0.74 PARP1 (0.37) MAOB
SCHEMBL17196035 0.74 PNMT (0.42) PNMTADRA2AADRA2BADRA2CCD44
SCHEMBL2261217 0.71 DRD2 (0.42) PNMTADRA2AADRA2BADRA2CCD44
SCHEMBL23714763 0.70 BRD4 (0.33)
SCHEMBL8312582 0.70 DRD2 (0.46) ADRA2AADRA2BADRA2CMAOB
SCHEMBL22306887 0.69 BRD4 (0.35) PNMT
SCHEMBL25604386 0.69 BRD4 (0.37) PNMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220213122-A1 SUBSTITUTED 1,6-DIHYDROPYRIDINONES AND 1,2-DIHYDROISOQUINOLINONES AS BET INHIBITORS NUVATION BIO INC (US) 2022-07-07 US disclosed
US-20220213122-A1 SUBSTITUTED 1,6-DIHYDROPYRIDINONES AND 1,2-DIHYDROISOQUINOLINONES AS BET INHIBITORS NUVATION BIO INC (US) 2022-07-07 US disclosed
US-11192900-B2 Substituted 1,6-dihydropyridinones and 1,2-dihydroisoquinolinones as bet inhibitors NUVATION BIO INC. (US) 2021-12-07 US disclosed
US-11192900-B2 Substituted 1,6-dihydropyridinones and 1,2-dihydroisoquinolinones as bet inhibitors NUVATION BIO INC. (US) 2021-12-07 US disclosed
EP-3873474-A1 HETEROCYCLIC COMPOUNDS AS BET INHIBITORS Nuvation Bio Inc. (US) 2021-09-08 EP disclosed
CN-113226322-A Heterocyclic compounds as BET inhibitors 诺维逊生物股份有限公司 2021-08-06 CN disclosed
US-20200140459-A1 HETEROCYCLIC COMPOUNDS AS BET INHIBITORS SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2020-05-07 US disclosed
US-20200140459-A1 HETEROCYCLIC COMPOUNDS AS BET INHIBITORS SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2020-05-07 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 (3 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-20220213122-A1 SUBSTITUTED 1,6-DIHYDROPYRIDINONES AND 1,2-DIHYDROISOQUINOLINONES AS BET INHIBITORS BET1, BRD4, BRD3 PNMT 2273/4885ADRA2A 3312/4885ADRA2B 3012/4885
US-20200140459-A1 HETEROCYCLIC COMPOUNDS AS BET INHIBITORS BET1, BRD4, BRD3 PNMT 2085/4885ADRA2A 4314/4885ADRA2B 3761/4885
US-11192900-B2 Substituted 1,6-dihydropyridinones and 1,2-dihydroisoquinolinones as bet inhibitors BET1, BRD4, PHKB PNMT 1009/4885ADRA2A 2649/4885ADRA2B 2270/4885

“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.