SCHEMBL76560

SCHEMBL76560

[O-][N+]1(c2ccccc2)CCCCC1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.32
PABPC1 P11940 1/20 0.32
APOBEC3A P31941 1/20 0.32
EIF4H Q15056 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
HTT P42858 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 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
Hydrochloric Acid SCHEMBL7459719 0.98 PABPC1 (0.32) LMNAPABPC1APOBEC3AEIF4HAPOBEC3G
SCHEMBL11224081 0.97 LMNA (0.33) LMNAHTT
SCHEMBL1828313 0.92 LMNA (0.33) LMNA
SCHEMBL7074888 0.84 ALDH1A1 (0.39) ALDH1A1HPGD
SCHEMBL874303 0.81
SCHEMBL9051047 0.78 CYP1A2 (0.44) LMNAHTTALDH1A1HPGDKMT2A
SCHEMBL1977562 0.76 LMNA (0.31) LMNA
SCHEMBL5392162 0.76 ORAI1 (0.38) LMNAKMT2A
SCHEMBL13719990 0.76
SCHEMBL1946653 0.76 KMT2A (0.38) LMNAHTTALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110128325-B Substituted phenyl piperidone compound and synthesis method and application thereof 广州医科大学 2021-01-05 CN claimed
CN-109880130-A A kind of mercaptan-alkene visible light emulsion polymerization prepares the method and its dual responsiveness nanosphere of dual responsiveness nanosphere 贵州民族大学 2019-06-14 CN claimed
CN-108622866-A The method and its application of black phosphorus are thinned in a kind of wet chemical 天津大学 2018-10-09 CN claimed
US-20160031817-A1 3-PIPERIDONE COMPOUNDS AND THEIR USE AS NEUROKININ-1 (NK1) RECEPTOR ANTAGONISTS NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2016-02-04 US claimed
CN-105209436-A 3-piperidone compounds and their use as neurokinin-1 (NK1) receptor antagonists UNIV NANYANG TECH 2015-12-30 CN claimed
WO-2014142761-A1 3-PIPERIDONE COMPOUNDS AND THEIR USE AS NEUROKININ-1 (NK1) RECEPTOR ANTAGONISTS NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2014-09-18 WO claimed
EP-2318363-A1 HETEROCYCLIC DERIVATIVES AS IAP BINDING COMPOUNDS Nuevolution A/S (DK) 2011-05-11 EP claimed
WO-2009152824-A1 HETEROCYCLIC DERIVATIVES AS IAP BINDING COMPOUNDS NUEVOLUTION A/S (DK) 2009-12-23 WO claimed
US-6388083-B2 ANTAGONIST TO SUBSTANCE P RECEPTORS MERCK & CO., INC. 2002-05-14 US claimed
US-20020019532-A1 Process for the synthesis of (2S)-phenyl-3-piperidone MERCK & CO., INC. 2002-02-14 US claimed
EP-0786483-B1 Process for an activated anionic lactam polymerisation INVENTA AG (CH) 2000-04-19 EP claimed
EP-0897303-A4 1999-02-24 EP claimed
EP-0897303-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-02-24 EP claimed
EP-0853617-A1 NOVEL 2,3-DIOXO-1,2,3,4-TETRAHYDRO-QUINOYXALINYL DERIVATIVES Novartis AG (CH) 1998-07-22 EP claimed
WO-1997036605-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-09 WO claimed
EP-0786483-A2 Process for an activated anionic lactam polymerisation EMS-INVENTA AG (CH) 1997-07-30 EP claimed
WO-1997008155-A1 NOVEL 2,3-DIOXO-1,2,3,4-TETRAHYDRO-QUINOYXALINYL DERIVATIVES NOVARTIS AG (CH) 1997-03-06 WO claimed
US-11964943-B2 3,5-diarylidenyl-n-substituted-piperid-4-one-derived inhibitors of Stat3 pathway activity and uses thereof KIAKOS KONSTANTINOS (AT) 2024-04-23 US disclosed
US-4115433-A RHODIUM CARBONYL SULFUR CLUSTER COMPOUND UNION CARBIDE CORPORATION (US) 1978-09-19 US disclosed
US-3944588-A RHODIUM CARBONYL, TRIALKANOLAMINE BORATE UNION CARBIDE CORPORATION (US) 1976-03-16 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-11964943-B2 3,5-diarylidenyl-n-substituted-piperid-4-one-derived inhibitors of Stat3 pathway activity and uses thereof STAT3, JAK2, STAT6 LMNA 3396/4885PABPC1 922/4885APOBEC3A 2928/4885
US-20020019532-A1 Process for the synthesis of (2S)-phenyl-3-piperidone DHPS, NPEPPS, ALDH18A1 LMNA 3683/4885PABPC1 1381/4885APOBEC3A 2576/4885
US-20160031817-A1 3-PIPERIDONE COMPOUNDS AND THEIR USE AS NEUROKININ-1 (NK1) RECEPTOR ANTAGONISTS TACR1, NPSR1, TACR2 LMNA 4098/4885PABPC1 1433/4885APOBEC3A 3440/4885

“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.