SCHEMBL1106451

SCHEMBL1106451

CC(C)(C)OCCCN1CCCCC1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 0.51
MAOB P27338 4/20 0.47
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL10025515 1.00 HRH3 (0.51) HRH3MAOBALDH1A1
SCHEMBL823898 0.98 HRH3 (0.49) HRH3MAOBALDH1A1
SCHEMBL13174428 0.94 HRH3 (0.54) HRH3MAOBALDH1A1
SCHEMBL21667849 0.94 HRH3 (0.45) HRH3MAOBALDH1A1
SCHEMBL13801829 0.92 HRH3 (0.58) HRH3MAOBALDH1A1
SCHEMBL13174310 0.92 HRH3 (0.50) HRH3MAOBALDH1A1
SCHEMBL13801832 0.90 HRH3 (0.54) HRH3MAOBALDH1A1
SCHEMBL26972452 0.89 HRH3 (0.40) HRH3MAOB
SCHEMBL13656337 0.87 ALDH1A1 (0.49) HRH3MAOBALDH1A1
SCHEMBL2734116 0.87 ALDH1A1 (0.49) HRH3MAOBALDH1A1

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 79 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240226113-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2024-07-11 US disclosed
US-20240226113-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2024-07-11 US disclosed
US-20230364086-A1 COMBINATION THERAPIES WITH EHMT2 INHIBITORS Epizyme, Inc. 2023-11-16 US disclosed
US-20230364086-A1 COMBINATION THERAPIES WITH EHMT2 INHIBITORS Epizyme, Inc. 2023-11-16 US disclosed
US-20230365563-A1 QUINAZOLINE COMPOUND AND APPLICATION THEREOF SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2023-11-16 US disclosed
US-20230365563-A1 QUINAZOLINE COMPOUND AND APPLICATION THEREOF SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2023-11-16 US disclosed
US-20230331737-A1 MTORC1 MODULATORS AND USES THEREOF AEOVIAN PHARMACEUTICALS, INC. 2023-10-19 US disclosed
US-20230331737-A1 MTORC1 MODULATORS AND USES THEREOF AEOVIAN PHARMACEUTICALS, INC. 2023-10-19 US disclosed
US-20230331717-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2023-10-19 US disclosed
US-11672800-B2 Combination therapies with EHMT2 inhibitors Epizyme, Inc. (US) 2023-06-13 US disclosed
US-7470709-B2 Benzimidazole quinolinones and uses thereof NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-12-30 US disclosed
US-7435729-B2 Compounds and methods for modulation of estrogen receptors SIGNAL PHARMACEUTICALS, LLC (US) 2008-10-14 US disclosed
US-7435729-B2 Compounds and methods for modulation of estrogen receptors SIGNAL PHARMACEUTICALS, LLC (US) 2008-10-14 US disclosed
US-7411072-B2 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY (US) 2008-08-12 US disclosed
US-7368459-B2 Heterocyclic compounds CHIRON CORPORATION (US) 2008-05-06 US disclosed
US-20080070906-A1 QUINOLINONE DERIVATIVES NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2008-03-20 US disclosed
US-7335774-B2 Quinolinone derivatives NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-02-26 US disclosed
US-7250442-B2 Dihydroindol-2-one derivatives as steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY (US) 2007-07-31 US disclosed
US-7250442-B2 Dihydroindol-2-one derivatives as steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY (US) 2007-07-31 US disclosed
US-20070032528-A1 Heterocyclic compounds RENHOWE PAUL A 2007-02-08 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 (8 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-20080070906-A1 QUINOLINONE DERIVATIVES SLCO1B1, SLCO1B3, SLCO1A2 HRH3 1863/4885MAOB 329/4885ALDH1A1 274/4885
US-20070032528-A1 Heterocyclic compounds SLCO4C1, SLCO2B1, SLCO1B1 HRH3 881/4885MAOB 389/4885ALDH1A1 1573/4885
US-20230364086-A1 COMBINATION THERAPIES WITH EHMT2 INHIBITORS EHMT2, BHMT, SHMT2 HRH3 2154/4885MAOB 1361/4885ALDH1A1 430/4885
US-20230331717-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TP53, KRAS, HRAS HRH3 2775/4885MAOB 4211/4885ALDH1A1 3377/4885
US-20230331737-A1 MTORC1 MODULATORS AND USES THEREOF MTOR, RPTOR, RICTOR HRH3 3604/4885MAOB 4700/4885ALDH1A1 4764/4885
US-20240226113-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TP53, HRAS, KRAS HRH3 2868/4885MAOB 3339/4885ALDH1A1 2917/4885
US-20230365563-A1 QUINAZOLINE COMPOUND AND APPLICATION THEREOF KRAS, NRAS, BRAF HRH3 1782/4885MAOB 4614/4885ALDH1A1 3174/4885
US-11672800-B2 Combination therapies with EHMT2 inhibitors EHMT2, BHMT, SHMT2 HRH3 2154/4885MAOB 1361/4885ALDH1A1 430/4885

“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.