SCHEMBL902641

SCHEMBL902641

CNCC(c1ccc(O)cc1)C1(O)CCCCC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 7/20 0.64
SLC6A4 P31645 7/20 0.64
SLC6A3 Q01959 5/20 0.64
OPRM1 P35372 1/20 0.64
ALDH1A1 P00352 1/20 0.49
HTR1A P08908 1/20 0.49
THPO P40225 1/20 0.49
BLM P54132 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NMUR2 Q9GZQ4 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
KDM4E B2RXH2 1/20 0.49
CYP2C9 P11712 1/20 0.49
HIF1A Q16665 1/20 0.49
TAAR1 Q96RJ0 1/20 0.49
LMNA P02545 1/20 0.46
CNR1 P21554 1/20 0.46
HTR2A P28223 1/20 0.46
HRH1 P35367 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46

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
SCHEMBL12165438 1.00 SLC6A2 (0.64) SLC6A2SLC6A4SLC6A3OPRM1ALDH1A1
SCHEMBL13657720 0.88 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3OPRM1LMNA
SCHEMBL10613760 0.86 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3OPRM1
SCHEMBL12165445 0.85 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3OPRM1LMNA
SCHEMBL12165440 0.85 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3OPRM1LMNA
N-Desmethylvenlafaxine SCHEMBL5435875 0.84 SLC6A2 (0.67) SLC6A2SLC6A4SLC6A3OPRM1LMNA
SCHEMBL14598890 0.84 SLC6A4 (0.46) SLC6A2SLC6A4SLC6A3OPRM1ALDH1A1
N-Desmethylvenlafaxine SCHEMBL5439972 0.84 SLC6A2 (0.67) SLC6A2SLC6A4SLC6A3OPRM1LMNA
N-Desmethylvenlafaxine SCHEMBL734652 0.84 SLC6A2 (0.67) SLC6A2SLC6A4SLC6A3OPRM1LMNA
SCHEMBL14227832 0.81 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3OPRM1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2621891-B1 POLYMORPHS OF 4-[2-DIMETHYLAMINO-1-(1-HYDROXYCYCLOHEXYL)ETHYL]PHENYL 4-METHYLBENZOATE HYDROCHLORIDE, METHODS FOR PREPARING THE SAME AND USE OF THE SAME SHAN DONG LUYE PHARM CO LTD (CN) 2019-11-06 EP disclosed
EP-1897867-B1 COMPOUNDS USED FOR INTERRUPTING REUPTAKE OF 5-HYDROXYTRYPTAMINE AND NOREPINEPHRINE OR TREATING DISEASES SUCH AS DEPRESSION Shandong luye pharmaceutical co ltd (CN) 2017-02-15 EP disclosed
EP-1897867-B1 COMPOUNDS USED FOR INTERRUPTING REUPTAKE OF 5-HYDROXYTRYPTAMINE AND NOREPINEPHRINE OR TREATING DISEASES SUCH AS DEPRESSION Shandong luye pharmaceutical co ltd (CN) 2017-02-15 EP disclosed
US-9199912-B2 Polymorphs of 4-[2-dimethylamino-1-(1-hydroxycyclohexyl)ethyl]phenyl 4-methylbenzoate hydrochloride, methods of preparing the same and use of the same SHANDONG LUYE PHARMACEUTICAL CO., LTD. (CN) 2015-12-01 US disclosed
US-9199912-B2 Polymorphs of 4-[2-dimethylamino-1-(1-hydroxycyclohexyl)ethyl]phenyl 4-methylbenzoate hydrochloride, methods of preparing the same and use of the same SHANDONG LUYE PHARMACEUTICAL CO., LTD. (CN) 2015-12-01 US disclosed
US-9199912-B2 Polymorphs of 4-[2-dimethylamino-1-(1-hydroxycyclohexyl)ethyl]phenyl 4-methylbenzoate hydrochloride, methods of preparing the same and use of the same SHANDONG LUYE PHARMACEUTICAL CO., LTD. (CN) 2015-12-01 US disclosed
US-20150299102-A1 DERIVATIVES OF (-)-VENLAFAXINE AND METHODS OF PREPARING AND USING THE SAME SUNOVION PHARMACEUTICALS INC (US) 2015-10-22 US disclosed
US-20150299102-A1 DERIVATIVES OF (-)-VENLAFAXINE AND METHODS OF PREPARING AND USING THE SAME SUNOVION PHARMACEUTICALS INC (US) 2015-10-22 US disclosed
US-20150299102-A1 DERIVATIVES OF (-)-VENLAFAXINE AND METHODS OF PREPARING AND USING THE SAME SUNOVION PHARMACEUTICALS INC (US) 2015-10-22 US disclosed
US-9072700-B2 Methods of using derivatives of (−)-venlafaxine SUNOVION PHARMACEUTICALS INC. (US) 2015-07-07 US disclosed
US-20040180952-A1 Derivatives of (-)- and (+)-venlafaxine and methods of preparing and using the same SEPRACOR INC. 2004-09-16 US disclosed
US-20040106576-A1 Derivatives of venlafaxine and methods of preparing and using the same SEPRACOR INC. (US) 2004-06-03 US disclosed
US-20030083338-A1 Compositions and methods for management of serotonin-mediated disorders SEPRACOR, INC. 2003-05-01 US disclosed
US-20030018083-A1 Methods of treating and preventing pain, anxiety, and incontinence using derivatives of (-)-venlafaxine SEPRACOR, INC. 2003-01-23 US disclosed
US-6441048-B1 A (-)VENLAFAXINE DERIVATIVE OR A SALT FREE OF ITS (+)STEREO-ISOMER AND A CARRIER OR EXCIPIENT; SIDE EFFECT REDUCTION; ANTIDEPRESSANTS; ATTENTION DEFICIT DISORDER; HYPERACTIVITY. OBESITY; INHIBITION OF NEURONAL MONOAMINE REUPTAKE SEPRACOR, INC. 2002-08-27 US disclosed
US-20020086904-A1 Methods of treating affective disorders using derivatives of (-)- venlafaxine SEPRACOR INC. 2002-07-04 US disclosed
US-6342533-B1 ANTIDEPRESSANTS UDES FOR BIPOLAR AND ATTENTION DEFICIT DISORDERS, HYPERACTIVITY, PARKINSON'S DISEASE, EPILEPSY, EATING DISORDERS SEPRACOR, INC. 2002-01-29 US disclosed
EP-1165487-A1 DERIVATIVES OF VENLAFAXINE AND METHODS OF PREPARING AND USING THE SAME Sepracor Inc. (US) 2002-01-02 EP disclosed
US-6197828-B1 NONTRICYCLIC ANTIDEPRESSANTS HAVE RECENTLY BEEN DEVELOPED THAT DIMINISH THE CARDIOVASCULAR AND ANTICHOLINERGIC LIABILITY, SEPRACOR, INC. 2001-03-06 US disclosed
WO-2000059851-A1 DERIVATIVES OF VENLAFAXINE AND METHODS OF PREPARING AND USING THE SAME SEPRACOR INC. (US) 2000-10-12 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 (6 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-20040180952-A1 Derivatives of (-)- and (+)-venlafaxine and methods of preparing and using the same COMT, MAOA, MAOB SLC6A2 4/4885SLC6A4 14/4885SLC6A3 5/4885
US-20030018083-A1 Methods of treating and preventing pain, anxiety, and incontinence using derivatives of (-)-venlafaxine COMT, MAOA, ACHE SLC6A2 4/4885SLC6A4 13/4885SLC6A3 6/4885
US-20150299102-A1 DERIVATIVES OF (-)-VENLAFAXINE AND METHODS OF PREPARING AND USING THE SAME COMT, MAOA, MAOB SLC6A2 4/4885SLC6A4 11/4885SLC6A3 5/4885
US-20020086904-A1 Methods of treating affective disorders using derivatives of (-)- venlafaxine COMT, MAOA, MAOB SLC6A2 4/4885SLC6A4 11/4885SLC6A3 6/4885
US-20030083338-A1 Compositions and methods for management of serotonin-mediated disorders HTR5A, TPH1, HTR4 SLC6A2 24/4885SLC6A4 12/4885SLC6A3 40/4885
US-20040106576-A1 Derivatives of venlafaxine and methods of preparing and using the same COMT, MAOA, MAOB SLC6A2 4/4885SLC6A4 13/4885SLC6A3 6/4885

“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.