SCHEMBL3097936

SCHEMBL3097936

O=C(O)c1cnc(N2CCOCC2)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
PIK3CA P42336 3/20 0.50
SCD O00767 1/20 0.50
PIK3CD O00329 1/20 0.50
PIK3CB P42338 1/20 0.50
GAA P10253 2/20 0.49
KDM4E B2RXH2 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
HDAC3 O15379 4/20 0.47
HDAC4 P56524 4/20 0.47
HDAC1 Q13547 4/20 0.47
HDAC7 Q8WUI4 4/20 0.47
HDAC2 Q92769 4/20 0.47
HDAC10 Q969S8 4/20 0.47
HDAC11 Q96DB2 4/20 0.47
HDAC8 Q9BY41 4/20 0.47
HDAC6 Q9UBN7 4/20 0.47
HDAC9 Q9UKV0 4/20 0.47
HDAC5 Q9UQL6 4/20 0.47
PIK3R1 P27986 1/20 0.46

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
SCHEMBL8217601 0.86 HDAC3 (0.52) POLBPIK3CAPIK3CDPIK3CBGAA
SCHEMBL3131659 0.86 SCD (0.51) POLBPIK3CASCDPIK3CDPIK3CB
SCHEMBL21638175 0.85 SCD (0.53) POLBSCDGAAKDM4ESMN1; SMN2
SCHEMBL14575736 0.83 ALDH1A1 (0.56) POLBSCDGAAKDM4ESMN1; SMN2
SCHEMBL4180681 0.82 HDAC3 (0.60) KDM4EHDAC3HDAC4HDAC1HDAC7
SCHEMBL14605272 0.82 SCD (0.51) SCDHDAC3HDAC4HDAC1HDAC7
SCHEMBL17452611 0.82 OGA (0.50) PIK3CAPIK3CDPIK3CBGAAKDM4E
SCHEMBL3014688 0.82 DGAT1 (0.45) POLBSCDGAAKDM4ESMN1; SMN2
SCHEMBL26056230 0.82 HDAC3 (0.46) POLBPIK3CASCDPIK3CDPIK3CB
SCHEMBL15733274 0.81 SCD (0.47) POLBPIK3CASCDPIK3CDPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2731932-B1 AMINOMETHYL QUINOLONE COMPOUNDS HOFFMANN LA ROCHE (CH) 2015-12-30 EP claimed
US-8501732-B2 Aminomethyl quinolone compounds HOFFMANN-LA ROCHE INC. (US) 2013-08-06 US claimed
US-20130018043-A1 AMINOMETHYL QUINOLONE COMPOUNDS BILOTTA JOSEPH A (US) 2013-01-17 US claimed
WO-2024074611-A1 PRMT5 INHIBITORS Ryvu Therapeutics S.A. (PL) 2024-04-11 WO disclosed
US-20240043436-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION PMV PHARMACEUTICALS, INC. 2024-02-08 US disclosed
US-11807644-B2 Methods and compounds for restoring mutant p53 function PMV PHARMACEUTICALS, INC. (US) 2023-11-07 US disclosed
US-11807644-B2 Methods and compounds for restoring mutant p53 function PMV PHARMACEUTICALS, INC. (US) 2023-11-07 US disclosed
US-11807644-B2 Methods and compounds for restoring mutant p53 function PMV PHARMACEUTICALS, INC. (US) 2023-11-07 US disclosed
CN-116710430-A Methods and compounds for restoring mutant p53 function 皮姆维制药公司 2023-09-05 CN disclosed
EP-4149459-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT P53 FUNCTION PMV Pharmaceuticals, Inc. (US) 2023-03-22 EP disclosed
US-20230002403-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION PMV PHARMACEUTICALS, INC. 2023-01-05 US disclosed
US-20160016914-A1 SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK BRISTOL-MYERS SQUIBB COMPANY 2016-01-21 US disclosed
US-20160016914-A1 SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK BRISTOL-MYERS SQUIBB COMPANY 2016-01-21 US disclosed
EP-2731932-B1 AMINOMETHYL QUINOLONE COMPOUNDS HOFFMANN LA ROCHE (CH) 2015-12-30 EP disclosed
EP-2731932-A1 AMINOMETHYL QUINOLONE COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2014-05-21 EP disclosed
US-8501732-B2 Aminomethyl quinolone compounds HOFFMANN-LA ROCHE INC. (US) 2013-08-06 US disclosed
US-20130018043-A1 AMINOMETHYL QUINOLONE COMPOUNDS BILOTTA JOSEPH A (US) 2013-01-17 US disclosed
WO-2013007676-A1 AMINOMETHYL QUINOLONE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2013-01-17 WO disclosed
US-8324250-B2 Piperidine derivatives as NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-12-04 US disclosed
US-20100256126-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2010-10-07 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 (6 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-20130018043-A1 AMINOMETHYL QUINOLONE COMPOUNDS MAP3K1, MAP3K11, MAP3K5 POLB 2783/4885PIK3CA 601/4885SCD 3296/4885
US-20230002403-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION TP53, TP53BP1, HRAS POLB 76/4885PIK3CA 509/4885SCD 4230/4885
US-11807644-B2 Methods and compounds for restoring mutant p53 function TP53, TP53BP1, HRAS POLB 76/4885PIK3CA 509/4885SCD 4230/4885
US-20240043436-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION TP53, TP53BP1, HRAS POLB 76/4885PIK3CA 509/4885SCD 4230/4885
US-20100256126-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HTR3A, OPRL1, OPRK1 POLB 2329/4885PIK3CA 999/4885SCD 3880/4885
US-20160016914-A1 SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK ROCK1, MYLK, ROCK2 POLB 4459/4885PIK3CA 723/4885SCD 1194/4885

“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.