SCHEMBL5186169

SCHEMBL5186169

C=CCN(C)CCC(=O)c1cccs1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.56
ALDH1A1 P00352 3/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
POLB P06746 2/20 0.56
CTNNB1 P35222 5/20 0.47
WNT3A P56704 4/20 0.47
HPGD P15428 4/20 0.47
PKM P14618 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
HSD17B10 Q99714 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
GSK3B P49841 1/20 0.45
HDAC1 Q13547 1/20 0.43
MAOA P21397 2/20 0.43

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
SCHEMBL13044823 0.86 LMNA (0.69) LMNAALDH1A1NPC1RAB9AMEN1
SCHEMBL14878250 0.82 LMNA (0.62) LMNAALDH1A1NPC1RAB9AMEN1
SCHEMBL13536765 0.81 ALDH1A1 (0.61) LMNAALDH1A1NPC1RAB9AMEN1
SCHEMBL13562555 0.81 LMNA (0.61) LMNAALDH1A1NPC1RAB9AMEN1
SCHEMBL471019 0.80 ALDH1A1 (0.69) LMNAALDH1A1NPC1RAB9AMEN1
SCHEMBL12719803 0.79 LMNA (0.67) LMNAALDH1A1NPC1RAB9AMEN1
Hydrochloric Acid SCHEMBL3303 0.79 ALDH1A1 (0.67) LMNAALDH1A1NPC1RAB9AMEN1
SCHEMBL28800151 0.78 ALDH1A1 (0.61) LMNAALDH1A1NPC1RAB9AMEN1
SCHEMBL13536701 0.77 ALDH1A1 (0.65) LMNAALDH1A1NPC1RAB9AMEN1
SCHEMBL5914971 0.77 TSHR (0.56) LMNAALDH1A1NPC1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7294744-B2 Process for manufacturing of enantiomerically pure 3-hydroxy-3-phenyl-propylamin BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-11-13 US claimed
EP-1789385-A1 METHOD FOR PRODUCING N-ALKYL-N-METHYL-3-HYDROXY-3-(2-THIENYL)-PROPYLAMINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-30 EP claimed
WO-2005085192-A1 METHOD FOR PRODUCING N-ALKYL-N-METHYL-3-HYDROXY-3-(2-THIENYL)-PROPYLAMINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-15 WO claimed
US-20050197503-A1 Process for the preparation of N-alkyl-N-methyl-3-hydroxy-3-(2-thienyl)-propylamines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-08 US claimed
EP-1765766-B1 METHOD FOR PRODUCING ENANTIOMERS 3-HYDROXY-3-PHENYL-PROPYLAMINES BOEHRINGER INGELHEIM PHARMA (DE) 2013-09-25 EP disclosed
EP-1789385-A1 METHOD FOR PRODUCING N-ALKYL-N-METHYL-3-HYDROXY-3-(2-THIENYL)-PROPYLAMINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-30 EP disclosed
EP-1765766-A1 METHOD FOR PRODUCING ENANTIOMERS 3-HYDROXY-3-PHENYL-PROPYLAMINES Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2007-03-28 EP disclosed
WO-2006005476-A1 METHOD FOR PRODUCING ENANTIOMERS 3-HYDROXY-3-PHENYL-PROPYLAMINES BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-01-19 WO disclosed
WO-2005085192-A1 METHOD FOR PRODUCING N-ALKYL-N-METHYL-3-HYDROXY-3-(2-THIENYL)-PROPYLAMINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-15 WO disclosed
US-20050197503-A1 Process for the preparation of N-alkyl-N-methyl-3-hydroxy-3-(2-thienyl)-propylamines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-08 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 (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-20050197503-A1 Process for the preparation of N-alkyl-N-methyl-3-hydroxy-3-(2-thienyl)-propylamines HNMT, PNMT, HRH4 LMNA 3996/4885ALDH1A1 4097/4885NPC1 3703/4885

“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.