SCHEMBL4424042

SCHEMBL4424042

C[C@@H](NCc1ccc(O)cc1)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.70
POLB P06746 1/20 0.56
CASR P41180 3/20 0.53
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
HTT P42858 3/20 0.50
LMNA P02545 2/20 0.50
ALDH1A1 P00352 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
MAPK1 P28482 1/20 0.50
CYP1A2 P05177 2/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP3A4 P08684 2/20 0.49
APAF1 O14727 1/20 0.49
CHRM2 P08172 1/20 0.49
HTR1A P08908 1/20 0.49
ADRA2A P08913 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
CHRM1 P11229 1/20 0.49

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
SCHEMBL7176489 1.00 SMN1; SMN2 (0.70) SMN1; SMN2POLBCASRMEN1KMT2A
SCHEMBL9089267 1.00 SMN1; SMN2 (0.70) SMN1; SMN2POLBCASRMEN1KMT2A
SCHEMBL580415 0.93 POLB (0.60) SMN1; SMN2POLBCASRMEN1KMT2A
SCHEMBL14469578 0.91 SMN1; SMN2 (0.82) SMN1; SMN2POLBCASRMEN1KMT2A
SCHEMBL79765 0.87 SMN1; SMN2 (0.76) SMN1; SMN2POLBCASRMEN1KMT2A
SCHEMBL29560 0.87 SMN1; SMN2 (0.76) SMN1; SMN2POLBCASRMEN1KMT2A
SCHEMBL774613 0.87 SMN1; SMN2 (0.76) SMN1; SMN2POLBCASRMEN1KMT2A
SCHEMBL7182235 0.86 SMN1; SMN2 (0.51) SMN1; SMN2POLBMEN1KMT2ALMNA
SCHEMBL13077596 0.86 SMN1; SMN2 (0.70) SMN1; SMN2POLBCASRMEN1KMT2A
Hydrochloric Acid SCHEMBL5493749 0.85 SMN1; SMN2 (0.79) SMN1; SMN2POLBCASRMEN1KMT2A

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
JP-5201938-A None JP disclosed
EP-0812827-B1 Piperidine derivative as intermediates for the preparation of paroxetine and process for their preparation SUMITOMO CHEMICAL CO (JP) 2009-09-02 EP disclosed
US-6815548-B2 MINTERMEDIATE FOR PHARMACEUTICALS SUCH AS PAROXETINE USEFUL AS ANTIDEPRESSANTS, REPRESENTED BY THE GENERAL FORMULA (I): SUMIKA FINE CHEMICALS CO., LTD. (JP) 2004-11-09 US disclosed
US-6730803-B2 PRODUCTION METHOD OF A BETA -KETO ESTER COMPOUND OF CLAIM 1, WHICH COMPRISES CONDENSATION OF A 2-CYANO-2,2-DIMETHYLACETATE SOLUTION TO GIVE 2-CYANO-2,2- DIMETHYLACETATE OF THE FORMULA (II), AND CONDENSATION THEREOF SUMIKA FINE CHEMICALS CO., LTD. (JP) 2004-05-04 US disclosed
EP-1394160-A1 Process for preparing crystalline paroxetin hydrochloride SUMIKA FINE CHEMICALS Co., Ltd. (JP) 2004-03-03 EP disclosed
EP-1384720-A1 Process for drying paroxetine hydrochloride SUMIKA FINE CHEMICALS Co., Ltd. (JP) 2004-01-28 EP disclosed
EP-1384711-A1 Optical resolution of a piperidine derivative SUMIKA FINE CHEMICALS Co., Ltd. (JP) 2004-01-28 EP disclosed
US-6610851-B1 1-tert-butoxycarbonyl-4-(4-fluorophenyl)-3-((3,4-methylene dioxyphenyl)oxymethyl)piperidine; reacting 4-(4-fluorophenyl)-3-hydroxymethylpiperidine with di-tert-butyl dicarbonate to form the carbamate; 3,4-methylenedioxyphenol SUMIKA FINE CHEMICALS CO., LTD. (JP) 2003-08-26 US disclosed
US-20030144519-A1 Process for preparing a piperidine derivative SUMIKA FINE CHEMICALS CO., LTD. 2003-07-31 US disclosed
US-20030144533-A1 Synthetic intermediate for epothilone derivative and production method thereof SUMIKA FINE CHEMICALS CO., LTD. (JP) 2003-07-31 US disclosed
US-6476227-B1 Piperidine derivative and process for preparing the same SUMIKA FINE CHEMICALS CO., LTD. (JP) 2002-11-05 US disclosed
US-5948914-A PREPARING 4-(4-FLUOROPHENYL)-3-HYDROXYMETHYLPIPERIDINE BY OPTICALLY RESOLVING WITH O-CHLOROTARTRANILIC ACID; CHEMICAL INTERMEDIATE FOR DRUGS SUMIKA FINE CHEMICALS CO., LTD. (JP) 1999-09-07 US disclosed
EP-0812827-A1 Piperidine derivative as intermediates for the preparation of paroxetine and process for their preparation SUMIKA FINE CHEMICALS Co., Ltd. (JP) 1997-12-17 EP disclosed
US-5510519-A OPTICAL RESOLUTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-04-23 US disclosed
EP-0508307-B1 Optically active secondary amine compound; process for producing optically active secondary amine compound and process for producing optically active carboxylic acid by using said compound SUMITOMO CHEMICAL CO (JP) 1995-11-29 EP disclosed
US-5298660-A Compound containing an assymetrical carbon atom SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1994-03-29 US disclosed
JP-H05201938-A OPTICALLY ACTIVE AMINE COMPOUND, ITS PRODUCTION, ITS INTERMEDIATE AND ITS USE SUMITOMO CHEM CO LTD 1993-08-10 JP disclosed
EP-0508307-A2 Optically active secondary amine compound; process for producing optically active secondary amine compound and process for producing optically active carboxylic acid by using said compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-10-14 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 (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-20030144519-A1 Process for preparing a piperidine derivative TPH1, TPH2, HTR7 SMN1; SMN2 2012/4885POLB 819/4885CASR 4777/4885
US-20030144533-A1 Synthetic intermediate for epothilone derivative and production method thereof HSD11B1, HSD17B7, HSD17B1 SMN1; SMN2 4351/4885POLB 1213/4885CASR 4827/4885

“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.