SCHEMBL649432

SCHEMBL649432

CN(C(=O)c1cc2cc(OC3CCN(c4ccc(C(F)(F)F)cc4)CC3)ccc2o1)C1CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.38
SLC6A4 P31645 1/20 0.37
BCL9 O00512 1/20 0.37
CTNNB1 P35222 1/20 0.37
SCN9A Q15858 3/20 0.37
MCHR1 Q99705 1/20 0.37
MAOB P27338 3/20 0.36
MAPKAPK2 P49137 1/20 0.36
ITGB2 P05107 1/20 0.36
ICAM1 P05362 1/20 0.36
ITGAL P20701 1/20 0.36
PIM1 P11309 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
KCNH2 Q12809 1/20 0.36
SCN5A Q14524 1/20 0.36
CETP P11597 1/20 0.35

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
SCHEMBL4403487 0.92 MAOB (0.43) SLC6A4MAOBKDM4EALDH1A1LMNA
SCHEMBL15475261 0.89 LIPE (0.38) HRH3SLC6A4SCN9AMCHR1PIM1
SCHEMBL649754 0.88 ADRB2 (0.47) MCHR1MAOBKCNH2
SCHEMBL648821 0.87 GPR119 (0.43)
SCHEMBL649872 0.86 ALDH1A1 (0.43) HRH3SCN9AALDH1A1
SCHEMBL4403502 0.86 ADRB2 (0.46) MCHR1MAOBKCNH2
SCHEMBL649378 0.85 ADRB2 (0.43) MCHR1MAOBKCNH2
SCHEMBL649609 0.84 MAOA (0.48) HRH3MCHR1MAOBKCNH2CETP
SCHEMBL648264 0.84 SLC6A4 (0.45) SLC6A4BCL9CTNNB1SCN9AMCHR1
Hydrochloric Acid SCHEMBL647344 0.84 SLC6A4 (0.44) SLC6A4BCL9CTNNB1SCN9AMCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3010555-B1 ABSORBENT ARTICLE COMPRISING COMPLEXED OR ENCAPSULATED REACTIVE COMPOUNDS PROCTER & GAMBLE (US) 2020-07-15 EP claimed
US-20170304486-A1 ABSORBENT ARTICLE COMPRISING COMPLEXED OR ENCAPSULATED REACTIVE COMPOUNDS PROCTER & GAMBLE (US) 2017-10-26 US claimed
US-9731042-B2 Absorbent article comprising complexed or encapsulated reactive compounds THE PROCTER & GAMBLE COMPANY (US) 2017-08-15 US claimed
EP-3010554-A1 ABSORBENT ARTICLE COMPRISING COMPLEXED OR ENCAPSULATED REACTIVE COMPOUNDS The Procter & Gamble Company (US) 2016-04-27 EP claimed
EP-3010555-A1 ABSORBENT ARTICLE COMPRISING COMPLEXED OR ENCAPSULATED REACTIVE COMPOUNDS The Procter & Gamble Company (US) 2016-04-27 EP claimed
US-20140378920-A1 ABSORBENT ARTICLE COMPRISING COMPLEXED OR ENCAPSULATED REACTIVE COMPOUNDS THE PROCTER & GAMBLE COMPANY 2014-12-25 US claimed
US-20140377207-A1 ABSORBENT ARTICLE COMPRISING COMPLEXED OR ENCAPSULATED REACTIVE COMPOUNDS THE PROCTER & GAMBLE COMPANY 2014-12-25 US claimed
WO-2014205048-A1 ABSORBENT ARTICLE COMPRISING COMPLEXED OR ENCAPSULATED REACTIVE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2014-12-24 WO claimed
WO-2014205047-A1 ABSORBENT ARTICLE COMPRISING COMPLEXED OR ENCAPSULATED REACTIVE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2014-12-24 WO claimed
US-20120226248-A1 ABSORBENT ARTICLE COMPRISING CYCLODEXTRIN COMPLEX PROCTER & GAMBLE COMPANY, THE 2012-09-06 US claimed
WO-2012088231-A1 ABSORBENT ARTICLE COMPRISING CYCLODEXTRIN COMPLEX THE PROCTER & GAMBLE COMPANY (US) 2012-06-28 WO claimed
EP-2468309-A1 Absorbent article having releasable odor control The Procter & Gamble Company (US) 2012-06-27 EP claimed
US-8119809-B2 AMPK-activating heterocycloalkyloxy(hetero)aryl carboxamide, sulfonamide and amine compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2012-02-21 US claimed
US-20090170829-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2009-07-02 US claimed
US-5965767-A Beta ketoester compositions and method of manufacture PROCTER & GAMBLE COMPANY (US) 1999-10-12 US claimed
EP-4347756-A1 1,4-BUTANEDIOL MONO- OR DIESTERS FOR USE AS AROMA CHEMICALS BASF SE (DE) 2024-04-10 EP disclosed
CN-116568266-A Aqueous hair conditioner composition containing dissolved anti-dandruff active 宝洁公司 2023-08-08 CN disclosed
EP-0157436-A1 Perfume compositions and perfumed articles containing dihydro- and/or tetrahydro-naphtols as fragrance material NAARDEN INTERNATIONAL N.V. (NL) 1985-10-09 EP disclosed
EP-0074693-A1 Perfume compositions and perfumed articles containing spiro-undecanones and -undecenones as perfume base NAARDEN INTERNATIONAL N.V. (NL) 1983-03-23 EP disclosed
EP-0074694-A2 Perfume compositions and perfumed articles containing one or more tetramethyl-tri-cycloundecyl-alkyl ketones as perfume component NAARDEN INTERNATIONAL N.V. (NL) 1983-03-23 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-20090170829-A1 Carboxamide, Sulfonamide and Amine Compounds and Methods for Using The Same AK2, PRKAA1, PRKAA2 HRH3 1885/4885SLC6A4 2178/4885BCL9 3127/4885

“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.