Sugi Predict

Sugi Predict / Compounds / SCHEMBL799196

SCHEMBL799196

SCHEMBL799196

CC(=O)N1CCN(C)C[C@H]1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ TSHR P16473 4/20 0.39
▸ MAPT P10636 2/20 0.39
▸ POLB P06746 1/20 0.37
▸ GAA P10253 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ SMARCA2 P51531 1/20 0.35
▸ SMARCA4 P51532 1/20 0.35
▸ PBRM1 Q86U86 1/20 0.35
▸ ATM Q13315 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ DYRK1A Q13627 1/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ HTT P42858 2/20 0.31
▸ MEN1 O00255 1/20 0.31

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
SCHEMBL357615 1.00 CYP1A2 (0.43) CYP1A2TDP1TSHRMAPTPOLB
SCHEMBL799032 1.00 CYP1A2 (0.43) CYP1A2TDP1TSHRMAPTPOLB
SCHEMBL9446411 0.83 TSHR (0.39) CYP1A2TDP1TSHRMAPTGAA
SCHEMBL4248088 0.83 TSHR (0.39) CYP1A2TDP1TSHRMAPTGAA
SCHEMBL3829548 0.83 TSHR (0.39) CYP1A2TDP1TSHRMAPTGAA
Hydrochloric Acid SCHEMBL4246521 0.81 TSHR (0.38) CYP1A2TDP1TSHRMAPTGAA
SCHEMBL16009685 0.81 TSHR (0.38) CYP1A2TDP1TSHRMAPTGAA
Hydrochloric Acid SCHEMBL21805904 0.81 TSHR (0.38) CYP1A2TDP1TSHRMAPTGAA
SCHEMBL21885560 0.81 TSHR (0.38) CYP1A2TDP1TSHRMAPTGAA
SCHEMBL16009686 0.81 TSHR (0.38) CYP1A2TDP1TSHRMAPTGAA

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
EP-4242207-A1 KRAS INHIBITORS FOR TREATMENT OF CANCERS Tyligand Bioscience (Shanghai) Limited (CN) 2023-09-13 — — EP disclosed
EP-3262036-B1 THERAPEUTIC PYRIDAZINE COMPOUNDS AND USES THEREOF GENENTECH INC (US) 2023-09-13 — — EP disclosed
WO-2022095960-A1 KRAS INHIBITORS FOR TREATMENT OF CANCERS 泰励生物科技（上海）有限公司 2022-05-12 — — WO disclosed
WO-2021062246-A1 CRF RECEPTOR ANTAGONISTS AND METHODS OF USE NEUROCRINE BIOSCIENCES, INC. (US) 2021-04-01 — — WO disclosed
WO-2016138114-A1 THERAPEUTIC PYRIDAZINE COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-09-01 — — WO disclosed
US-8309546-B2 Morpholinopurine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-11-13 — — US disclosed
US-20120071476-A1 MORPHOLINOPURINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-22 — — US disclosed
EP-2336132-A1 MORPHOLINOPURINE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2011-06-22 — — EP 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-20120071476-A1 MORPHOLINOPURINE DERIVATIVES MTOR, RICTOR, PIK3R1 CYP1A2 3323/4885TDP1 1498/4885TSHR 2037/4885

“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.