SCHEMBL4029196

SCHEMBL4029196

OC[C@H]1CN(Cc2ccccc2)CC[C@@H]1c1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.52
ACHE P22303 3/20 0.52
BACE1 P56817 3/20 0.52
SLC18A3 Q16572 2/20 0.49
SIGMAR1 Q99720 2/20 0.49
CCR5 P51681 2/20 0.49
GBA1 P04062 1/20 0.49
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
SLC6A12 P48065 1/20 0.47
TMEM97 Q5BJF2 1/20 0.47
MCHR1 Q99705 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
SCHEMBL4029197 1.00 BCHE (0.52) BCHEACHEBACE1SLC18A3SIGMAR1
SCHEMBL7240145 1.00 BCHE (0.52) BCHEACHEBACE1SLC18A3SIGMAR1
SCHEMBL4030955 1.00 BCHE (0.52) BCHEACHEBACE1SLC18A3SIGMAR1
SCHEMBL7239120 1.00 BCHE (0.52) BCHEACHEBACE1SLC18A3SIGMAR1
SCHEMBL6576777 1.00 BCHE (0.52) BCHEACHEBACE1SLC18A3SIGMAR1
SCHEMBL7468131 0.91 CCR5 (0.58) BCHEACHEBACE1SIGMAR1CCR5
SCHEMBL7468128 0.91 CCR5 (0.58) BCHEACHEBACE1SIGMAR1CCR5
SCHEMBL7468123 0.91 CCR5 (0.58) BCHEACHEBACE1SIGMAR1CCR5
SCHEMBL7248619 0.88 ACHE (0.53) BCHEACHEBACE1SLC18A3SIGMAR1
SCHEMBL7248624 0.88 ACHE (0.53) BCHEACHEBACE1SLC18A3SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1315701-B1 PROCESS FOR THE RACEMISATION OF 1-BENZYL-4-(4-FLUOROPHENYL)-3-HYDROXYMETHYL-1,2,3,6-TETRAHYDROPYRIDINE TO BE USED AS INTERMEDIATE IN THE SYNTHESIS OF PAROXETINE AESICA PHARMACEUTICALS LTD (GB) 2009-01-28 EP disclosed
US-6949650-B2 Process for the racemization of 1-benzyl-4-(4-fluorophenyl)-3-hydroxymethyl-1,2-3,6-tetrahydropyridine to be used as intermediate in the synthesis of paroxetine AESICA PHARMACEUTICALS LTD. (GB) 2005-09-27 US disclosed
US-20040014786-A1 Procee for the racemisation of 1-benzyl-4-(4-fluorophenyl)-3-hydroxymethyl-1,2-3,6-tetrahydropyridine to be used as intermediate in the synthesis of paroxetine AESICA PHARMCEUTICALS LTD. (GB) 2004-01-22 US disclosed
US-6657062-B1 Chemical intermediates for paroxetine derivatives; formylation, resolution, reduction, salt formation, catalysis RICHTER GEDEON VEGYESSETI GYAR RT. (HU) 2003-12-02 US disclosed
EP-1315701-A1 PROCESS FOR THE RACEMISATION OF 1-BENZYL-4-(4-FLUOROPHENYL)-3-HYDROXYMETHYL-1,2,3,6-TETRAHYDROPYRIDINE TO BE USED AS INTERMEDIATE IN THE SYNTHESIS OF PAROXETINE BASF AKTIENGESELLSCHAFT (DE) 2003-06-04 EP disclosed
WO-2002018338-A1 PROCESS FOR THE RACEMISATION OF 1-BENZYL-4-(4-FLUOROPHENYL)-3-HYDROXYMETHYL-1,2,3,6-TETRAHYDROPYRIDINE TO BE USED AS INTERMEDIATE IN THE SYNTHESIS OF PAROXETINE BASF AKTIENGESELLSCHAFT (DE) 2002-03-07 WO disclosed
WO-2002018337-A1 PROCESS FOR THE RACEMISATION OF AN INTERMEDIATE USEFUL IN THE PREPARATION OF PAROXETINE BASF AKTIENGESELLSCHAFT (DE) 2002-03-07 WO disclosed
EP-0983237-B1 CHEMICAL PROCESS FOR THE REDUCTION OF 1-SUBSTITUTED -3-HYDROXYMETHYL-4- (4-FLUOROPHENYL)TETRAHYDROPYRIDINES BASF AG (DE) 2002-01-16 EP disclosed
EP-0923554-B1 N-BENZYLPIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES RICHTER GEDEON VEGYESZET (HU) 2002-01-09 EP disclosed
US-6326496-B1 REDUCTION WITH METAL HYDRIDE KNOLL AKTIENGESELLSCHAFT (DE) 2001-12-04 US disclosed
EP-0983237-A1 CHEMICAL PROCESS FOR THE REDUCTION OF 1-SUBSTITUTED -3-HYDROXYMETHYL-4- (4-FLUOROPHENYL)TETRAHYDROPYRIDINES KNOLL AKTIENGESELLSCHAFT (DE) 2000-03-08 EP disclosed
EP-0923554-A1 N-BENZYLPIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1999-06-23 EP disclosed
WO-1998052920-A1 CHEMICAL PROCESS FOR THE REDUCTION OF 1-SUBSTITUTED -3-HYDROXYMETHYL-4- (4-FLUOROPHENYL)TETRAHYDROPYRIDINES KNOLL AKTIENGESELLSCHAFT (DE) 1998-11-26 WO disclosed
WO-1998001424-A1 N-BENZYLPIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES Richter Gedeon Vegyészeti Gyár Rt. (HU) 1998-01-15 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 (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-20040014786-A1 Procee for the racemisation of 1-benzyl-4-(4-fluorophenyl)-3-hydroxymethyl-1,2-3,6-tetrahydropyridine to be used as intermediate in the synthesis of paroxetine HTR1E, HTR1A, CYP1B1 BCHE 522/4885ACHE 524/4885BACE1 252/4885

“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.