Sugi Predict

Sugi Predict / Compounds / SCHEMBL13433740

SCHEMBL13433740

SCHEMBL13433740

CC1=CC(=O)CN(Cc2ccccc2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.47
▸ LMNA P02545 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ SIGMAR1 Q99720 3/20 0.47
▸ MC4R P32245 1/20 0.44
▸ ACHE P22303 5/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ MAPT P10636 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ THRB P10828 1/20 0.41
▸ PAX8 Q06710 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ BCHE P06276 1/20 0.41
▸ F2 P00734 1/20 0.41
▸ PLG P00747 1/20 0.41
▸ ELANE P08246 1/20 0.41
▸ CTSG P08311 1/20 0.41

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
SCHEMBL18209886 0.79 SIGMAR1 (0.47) GAALMNASIGMAR1MC4RACHE
SCHEMBL3922841 0.79 SIGMAR1 (0.47) GAALMNASIGMAR1MC4RACHE
SCHEMBL18209820 0.79 SIGMAR1 (0.47) GAALMNAPOLBSIGMAR1MC4R
SCHEMBL11181532 0.79 ALDH1A1 (0.49) GAALMNAPOLBSIGMAR1MC4R
SCHEMBL13933094 0.79 GAA (0.47) GAALMNAPOLBSIGMAR1MC4R
SCHEMBL11187563 0.79 LMNA (0.51) GAALMNAPOLBACHEALDH1A1
SCHEMBL11185258 0.78 SIGMAR1 (0.46) GAALMNASIGMAR1ACHEALDH1A1
SCHEMBL13933158 0.76 DRD2 (0.45) GAALMNAPOLBSIGMAR1MC4R
Hydrochloric Acid SCHEMBL11183133 0.76 LMNA (0.49) LMNAPOLBSIGMAR1ALDH1A1MAPT
SCHEMBL18209839 0.76 SIGMAR1 (0.43) GAASIGMAR1ACHEALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180093985-A1 Heterocyclic Compounds and Their Use in Preventing or Treating Bacterial Infections MUTABILIS (FR) 2018-04-05 — — US disclosed
US-7683068-B2 Hydroisoindoline tachykinin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2010-03-23 — — US disclosed
US-7683068-B2 Hydroisoindoline tachykinin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2010-03-23 — — US disclosed
US-20090054462-A1 Hydroisoindoline tachykinin receptor antagonists MERCK SHARP & DOHME CORP. 2009-02-26 — — US disclosed
US-20090054462-A1 Hydroisoindoline tachykinin receptor antagonists MERCK SHARP & DOHME CORP. 2009-02-26 — — US disclosed
US-20090048248-A1 Octahydropyrano[3,4-C]Pyrrole Tachykinin Receptor Antagonists MERCK SHARP & DOHME CORP. 2009-02-19 — — US disclosed
WO-2007002457-A2 HYDROISOINDOLINE TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2007-01-04 — — WO 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-20090054462-A1 Hydroisoindoline tachykinin receptor antagonists TACR1, TACR2, NPSR1 GAA 1415/4885LMNA 3855/4885POLB 4135/4885
US-20180093985-A1 Heterocyclic Compounds and Their Use in Preventing or Treating Bacterial Infections NQO1, PEPD, LCT GAA 59/4885LMNA 751/4885POLB 917/4885
US-20090048248-A1 Octahydropyrano[3,4-C]Pyrrole Tachykinin Receptor Antagonists TACR1, TACR2, NPSR1 GAA 2131/4885LMNA 4196/4885POLB 2938/4885

“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.