SCHEMBL3675192

SCHEMBL3675192

OCC1CN(Cc2ccccc2)CC=C1c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 2/20 0.46
DRD2 P14416 1/20 0.46
BCHE P06276 2/20 0.43
ACHE P22303 2/20 0.43
BACE1 P56817 2/20 0.43
CYP2D6 P10635 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HTT P42858 1/20 0.42
SLC6A12 P48065 1/20 0.42
TMEM97 Q5BJF2 1/20 0.42
MCHR1 Q99705 1/20 0.42
SIGMAR1 Q99720 1/20 0.42

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
SCHEMBL6042662 1.00 DRD4 (0.46) DRD4DRD2BCHEACHEBACE1
SCHEMBL6652157 0.91 CYP2D6 (0.51) DRD4DRD2CYP2D6SIGMAR1
Hydrochloric Acid SCHEMBL10431124 0.89 CYP2D6 (0.46) CYP2D6SIGMAR1
SCHEMBL6041799 0.88 ACHE (0.41) DRD4DRD2BCHEACHEBACE1
SCHEMBL6041801 0.88 ACHE (0.41) DRD4DRD2BCHEACHEBACE1
SCHEMBL7466037 0.87 DRD2 (0.44) DRD4DRD2ACHESLC6A12TMEM97
SCHEMBL6041243 0.87 ALDH1A1 (0.45) BCHEACHEBACE1CYP2D6HTT
SCHEMBL6041242 0.87 ALDH1A1 (0.45) BCHEACHEBACE1CYP2D6HTT
SCHEMBL7238857 0.87 LMNA (0.42) DRD4DRD2KDM4EMCHR1
SCHEMBL7466045 0.85 DRD2 (0.42) DRD4DRD2CYP2D6SLC6A12TMEM97

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7838700-B2 Recovery and recycling of chiral tartaric acid resolving agents AESICA PHARMACEUTICALS (GB) 2010-11-23 US disclosed
EP-1446372-B1 RECOVERY AND RECYCLING OF CHIRAL TARTARIC ACID RESOLVING AGENTS AESICA PHARMACEUTICALS LTD (GB) 2009-04-15 EP disclosed
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
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
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
CN-1256326-C Novel 4- (oxoxyphenyl) -3-oxopiperidines for the treatment of cardiac and renal insufficiency HOFFMANN LA ROCHE (CH) 2006-05-17 CN disclosed
US-20060079533-A1 Methods of treating alzheimer's disease NIEMAN JAMES A 2006-04-13 US 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-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-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
WO-2001025201-A1 PROCESS FOR THE PREPARATION OF PAROXETIN INTERMEDIATE SMITHKLINE BEECHAM P.L.C. (GB) 2001-04-12 WO disclosed
US-6150526-A Piperidine derivative having renin inhibiting activity HOFFMANN-LA ROCHE INC. (US) 2000-11-21 US disclosed
US-6051712-A PREVENTION OF HIGH BLOOD PRESSURE AND CARDIAC INSUFFICIENCY, AS WELL AS GLAUCOMA, CARDIAC INFARCT, KIDNEY INSUFFICIENCY AND RESTENOSIS HOFFMANN-LA ROCHE INC. (US) 2000-04-18 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
CN-1202152-A Novel 4- (oxoxyphenyl) -3-oxopiperidines for the treatment of cardiac and renal insufficiency HOFFMANN LA ROCHE (CH) 1998-12-16 CN 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
EP-0863875-A1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY F. HOFFMANN-LA ROCHE AG (CH) 1998-09-16 EP disclosed
WO-1998001424-A1 N-BENZYLPIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES Richter Gedeon Vegyészeti Gyár Rt. (HU) 1998-01-15 WO disclosed
WO-1997009311-A1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY F. HOFFMANN-LA ROCHE AG (CH) 1997-03-13 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-20060079533-A1 Methods of treating alzheimer's disease BACE1, PSEN1, PSEN2 DRD4 2414/4885DRD2 2550/4885BCHE 8/4885

“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.