SCHEMBL42066

SCHEMBL42066

NCCC(O)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.62
RIPK1 Q13546 1/20 0.55
LMNA P02545 1/20 0.54
AOC3 Q16853 5/20 0.54
HTR2A P28223 2/20 0.52
KDM4E B2RXH2 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
TAAR1 Q96RJ0 1/20 0.48
BCAT2 O15382 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47

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
SCHEMBL3179795 1.00 HRH1 (0.62) HRH1RIPK1LMNAAOC3HTR2A
SCHEMBL232834 1.00 HRH1 (0.62) HRH1RIPK1LMNAAOC3HTR2A
SCHEMBL27928248 0.98 HRH1 (0.60) HRH1RIPK1LMNAAOC3HTR2A
Hydrochloric Acid SCHEMBL4374172 0.98 HRH1 (0.60) HRH1RIPK1LMNAAOC3HTR2A
Hydrochloric Acid SCHEMBL16032107 0.98 HRH1 (0.60) HRH1RIPK1LMNAAOC3HTR2A
Bromide SCHEMBL28648396 0.98 HRH1 (0.60) HRH1RIPK1LMNAAOC3HTR2A
SCHEMBL7417534 0.88 HRH1 (0.68) HRH1RIPK1LMNAAOC3HTR2A
SCHEMBL4281797 0.88 HRH1 (0.68) HRH1RIPK1LMNAAOC3HTR2A
Cadaverine Tartrate SCHEMBL9851431 0.88 HRH1 (0.50) HRH1RIPK1LMNAAOC3HTR2A
SCHEMBL7373079 0.86 HRH1 (0.59) HRH1RIPK1LMNAAOC3HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116217415-B Method for synthesizing chiral 3-amino-1-phenylpropanol and chiral 3- (methylamino) -1-phenylpropanol 武汉大学 2024-06-18 CN claimed
CN-116217415-A Method for synthesizing chiral 3-amino-1-phenylpropanol and chiral 3- (methylamino) -1-phenylpropanol 武汉大学 2023-06-06 CN claimed
CN-110556578-A Electrolyte additive, electrolyte containing electrolyte additive and application of electrolyte in lithium ion battery FUJIAN INST RES STR MATTER CAS 2019-12-10 CN claimed
CN-110297043-A A kind of analysis method of 2- methylamino -1- phenyl-1-propanol 上海医药工业研究院 2019-10-01 CN claimed
WO-2016065425-A1 BIOTRANSFORMATION REACTIONS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2016-05-06 WO claimed
US-20150238497-A1 STYRENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. 2015-08-27 US claimed
EP-1765766-B1 METHOD FOR PRODUCING ENANTIOMERS 3-HYDROXY-3-PHENYL-PROPYLAMINES BOEHRINGER INGELHEIM PHARMA (DE) 2013-09-25 EP claimed
EP-2060559-A1 Process for the preparation of enantiomerically pure 3-hydroxy-3-arylpropylamines and their optical stereoisomers Cadila Pharmaceuticals Limited (IN) 2009-05-20 EP claimed
CN-101400644-A Processes for the preparation of atomoxetine hydrochloride TEVA PHARM FINE CHEMICALS SRL (IT) 2009-04-01 CN claimed
EP-2019679-A2 GLUCOSE TRANSPORT INHIBITORS AND METHODS OF USE Theracos, Inc. (US) 2009-02-04 EP claimed
WO-2001012584-A2 PHARMACEUTICAL COMPOUNDS NICOX S.A. (FR) 2001-02-22 WO claimed
WO-2000007976-A1 FLUOXETINE PROCESS FROM BENZOYLACETONITRILE SEPRACOR INC. (US) 2000-02-17 WO claimed
US-6025517-A Fluoxetine process from benzoylacetonitrile SEPRACOR INC. (US) 2000-02-15 US claimed
WO-1992004021-A1 METHOD FOR PROVIDING IMPROVED ANALGESIC EFFECT RICHARDSON VICKS INC. (US) 1992-03-19 WO claimed
EP-0173928-B1 CONTROLLED-RELEASE MEDICAL PREPARATIONS AB LEO (SE) 1990-06-13 EP claimed
CN-1042704-A FLUOXETINE ANALOG LILLY CO ELI (US) 1990-06-06 CN claimed
US-4639368-A CARBON DIOXIDE GENERATOR FARMACON RESEARCH CORPORATION (US) 1987-01-27 US claimed
EP-0173928-A1 Controlled-release medical preparations AB LEO (SE) 1986-03-12 EP claimed
EP-0036145-B1 AN ORALLY ADMINISTERED DRUG FORM COMPRISING A POLAR BIOACTIVE AGENT AND AN ADJUVANT INTERx RESEARCH CORPORATION (US) 1985-05-29 EP claimed
US-4416828-A Process for the resolution of the racemate S-(carboxymethyl)-(RS)-cysteine (A) DEGUSSA AKTIENGESELLSCHAFT (DE) 1983-11-22 US claimed

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-20150238497-A1 STYRENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ALDH1A2, STARD3, TXNRD2 HRH1 2838/4885RIPK1 1797/4885LMNA 1098/4885

“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.