SCHEMBL4281797

SCHEMBL4281797

NCCCC(O)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.68
HTR2A P28223 2/20 0.68
RIPK1 Q13546 1/20 0.53
LMNA P02545 1/20 0.52
AOC3 Q16853 5/20 0.52
KDM4E B2RXH2 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
TAAR1 Q96RJ0 1/20 0.46
BCAT2 O15382 1/20 0.46
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45

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
SCHEMBL7417534 1.00 HRH1 (0.68) HRH1HTR2ARIPK1LMNAAOC3
Hydrochloric Acid SCHEMBL326015 0.98 HRH1 (0.65) HRH1HTR2ARIPK1LMNAAOC3
SCHEMBL7373079 0.93 HRH1 (0.59) HRH1HTR2ARIPK1LMNAAOC3
SCHEMBL3179795 0.88 HRH1 (0.62) HRH1HTR2ARIPK1LMNAAOC3
SCHEMBL42066 0.88 HRH1 (0.62) HRH1HTR2ARIPK1LMNAAOC3
SCHEMBL232834 0.88 HRH1 (0.62) HRH1HTR2ARIPK1LMNAAOC3
SCHEMBL27928248 0.86 HRH1 (0.60) HRH1HTR2ARIPK1LMNAAOC3
Hydrochloric Acid SCHEMBL4374172 0.86 HRH1 (0.60) HRH1HTR2ARIPK1LMNAAOC3
Hydrochloric Acid SCHEMBL16032107 0.86 HRH1 (0.60) HRH1HTR2ARIPK1LMNAAOC3
Bromide SCHEMBL28648396 0.86 HRH1 (0.60) HRH1HTR2ARIPK1LMNAAOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1253917-B1 USE OF SUBSTITUTED 4-AMINO-1-PHENYLBUTAN-2-OL COMPOUNDS AS MEDICAMENTS GRUENENTHAL GMBH (DE) 2005-02-16 EP claimed
EP-0505543-A1 NOVEL p-SUBSTITUTED PHENYL 4-OXYBUTANE AMINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LABORATOIRE THERAMEX (MC) 1992-09-30 EP claimed
WO-1992006977-A1 NOVEL p-SUBSTITUTED PHENYL 4-OXYBUTANE AMINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LABORATOIRE THERAMEX S.A. (MC) 1992-04-30 WO claimed
CN-113574041-B Bisphenol production method and polycarbonate resin production method 三菱化学株式会社 2023-10-13 CN disclosed
CN-113574041-A Method for producing bisphenol and method for producing polycarbonate resin 三菱化学株式会社 2021-10-29 CN disclosed
WO-2020189201-A1 METHOD FOR PRODUCING BISPHENOL AND METHOD FOR PRODUCING POLYCARBONATE RESIN 三菱ケミカル株式会社 2020-09-24 WO disclosed
EP-3510092-A1 PLASTIC COMPOSITION, PRODUCTION METHOD, AND USE OF SAME ATP Aicher + Tröbs Produktentwicklung GmbH (DE) 2019-07-17 EP disclosed
US-20090099183-A1 PYRIMIDINES AND USES THEREOF CELL THERAPEUTICS, INC. (US) 2009-04-16 US disclosed
US-7419984-B2 Pyrimidines and uses thereof CELL THERAPEUTICS, INC. (US) 2008-09-02 US disclosed
US-20040204386-A1 Pyrimidines and uses thereof CELL THERAPEUTICS, INC. 2004-10-14 US disclosed
US-6034272-A CARDIOVASCULAR DISORDERS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-03-07 US disclosed
WO-1998057929-A1 ELEVATION OF HDL CHOLESTEROL BY N-[4-[ (AMINOTHIOXOMETHYL) HYDRAZONO] -4-ARYLBUTYL]AMIDES AMERICAN HOME PRODUCTS CORPORATION (US) 1998-12-23 WO disclosed
EP-0570443-A1 AMINOALCOHOLS USEFUL AS OPTICAL RESOLVING AGENTS. BEECHAM LAB SA (FR) 1993-11-24 EP disclosed
EP-0505543-A1 NOVEL p-SUBSTITUTED PHENYL 4-OXYBUTANE AMINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LABORATOIRE THERAMEX (MC) 1992-09-30 EP disclosed
EP-0505543-A1 NOVEL p-SUBSTITUTED PHENYL 4-OXYBUTANE AMINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LABORATOIRE THERAMEX (MC) 1992-09-30 EP disclosed
WO-1992013823-A1 AMINOALCOHOLS USEFUL AS OPTICAL RESOLVING AGENTS LES LABORATOIRES BEECHAM S.A. (FR) 1992-08-20 WO disclosed
WO-1992006977-A1 NOVEL p-SUBSTITUTED PHENYL 4-OXYBUTANE AMINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LABORATOIRE THERAMEX S.A. (MC) 1992-04-30 WO disclosed
WO-1992006977-A1 NOVEL p-SUBSTITUTED PHENYL 4-OXYBUTANE AMINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LABORATOIRE THERAMEX S.A. (MC) 1992-04-30 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 (2 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-20040204386-A1 Pyrimidines and uses thereof LPCAT3, LPCAT1, APRT HRH1 3245/4885HTR2A 3690/4885RIPK1 2214/4885
US-20090099183-A1 PYRIMIDINES AND USES THEREOF LPCAT3, LPCAT1, APRT HRH1 3345/4885HTR2A 3571/4885RIPK1 2257/4885

“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.