SCHEMBL2779598

SCHEMBL2779598

CN=C1CCC(c2ccc(Cl)c(Cl)c2)c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 7/20 0.51
SLC6A4 P31645 7/20 0.51
SLC6A3 Q01959 7/20 0.51
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
CYP3A4 P08684 5/20 0.51
CYP1A2 P05177 3/20 0.51
CYP2C19 P33261 3/20 0.51
NPC1 O15118 2/20 0.51
CYP2D6 P10635 2/20 0.51
MTOR P42345 2/20 0.51
RAB9A P51151 2/20 0.51
MLNR O43193 1/20 0.51
NR1I2 O75469 1/20 0.51
ABCB11 O95342 1/20 0.51
ESR1 P03372 1/20 0.51
CHRM2 P08172 1/20 0.51
CHRM4 P08173 1/20 0.51
ABCB1 P08183 1/20 0.51
ADRB1 P08588 1/20 0.51

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
SCHEMBL4619744 1.00 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL2778650 1.00 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL8249516 1.00 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL8251411 1.00 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL4620535 1.00 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL23911772 1.00 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL2778648 1.00 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3MEN1KMT2A
Hydrochloric Acid SCHEMBL5326481 0.99 MEN1 (0.52) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL8276213 0.90 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL10041960 0.86 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010084459-A2 IMPROVED PROCESS FOR PREPARING AN INTERMEDIATE OF SERTRALINE PIRAMAL HEALTHCARE LIMITED (IN) 2010-07-29 WO claimed
WO-2010076763-A2 AN IMPROVED PROCESS FOR THE MANUFACTURE OF SERTRALINE PIRAMAL HEALTHCARE LIMITED (IN) 2010-07-08 WO claimed
EP-1885683-A2 A HIGHLY STEREOSELECTIVE SYNTHESIS OF SERTRALINE Hetero Drugs Limited (IN) 2008-02-13 EP claimed
US-20070260090-A1 Highly Steroselective Synthesis of Sertraline HETERO DRUGS LIMITED (IN) 2007-11-08 US claimed
WO-2007071421-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF SERTRALINE SANDOZ AG (CH) 2007-06-28 WO claimed
WO-2006129324-A2 A HIGHLY STEREOSELECTIVE SYNTHESIS OF SERTRALINE HETERO DRUGS LIMITED (IN) 2006-12-07 WO claimed
WO-2004087732-A2 PROCESS FOR THE PREPARATION OF (1S, 4S)-4-(3,4-DICHLOROPHENYL)-1,2,3,4-TETRAHYDRO-N-METHYL-1-NAPHTHYLAMINE SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2004-10-14 WO claimed
US-6723878-B2 HYDROGENATING N-(4-(3,4-DICHLOROPHENYL)-3,4-DIHYDRO-1(2H)-NAPHTHALENYLIDENE)METHANAMINE IN THE PRESENCE OF A DEHALOGENATION INHIBITOR, E.G., TRIPHENYLPHOSPHITE OR TRIMETHYLPHOSPHITE AND A CATALYST ORION CORPORATION FERMION (FI) 2004-04-20 US claimed
EP-1401800-A1 A NOVEL PROCESS FOR THE PREPARATION OF (IS-CIS) -4-(3, 4-DICHLOROPHENYL) -1, 2, 3, 4 - TETRAHYDRO-N-METHYL-1-NAPHTHALENAMINE ORION CORPORATION FERMION (FI) 2004-03-31 EP claimed
EP-1397342-A1 PROCESS FOR PREPARING SERTRALINE INTERMEDIATES ORION CORPORATION FERMION (FI) 2004-03-17 EP claimed
WO-2002096860-A1 PROCESS FOR PREPARING SERTRALINE INTERMEDIATES ORION CORPORATION FERMION (FI) 2002-12-05 WO claimed
US-6232500-B1 REACTING 4-(3,4-DICHLOROPHENYL)-3,4-DIHYDRO-1(2H)-NAPTHALENONE WITH MONOMETHYLAMINE IN ALCOHOL SOLVENT HAVING SPECIFIED BOILING POINT, UNDER REACTION CONDITIONS, AND IN WHICH MONOMETHYLAMINE IS SOLUBLE PFIZER INC 2001-05-15 US claimed
EP-1073645-A2 PROCESS FOR THE PREPARATION OF TETRALONE IMINES FOR THE PREPARATION OF ACTIVE PHARMACEUTICAL COMPOUNDS Ciba SC Holding AG (CH) 2001-02-07 EP claimed
EP-1059287-A1 Process for preparing sertraline from chiral tetralone Pfizer Products Inc. (US) 2000-12-13 EP claimed
EP-1047666-A1 NOVEL PROCESS FOR PREPARING A KETIMINE Pfizer Products Inc. (US) 2000-11-02 EP claimed
US-6054614-A Process for the preparation of tetralone imines for the preparation of active pharmaceutical compounds CIBA SPECIALTY CHEMICALS CORPORATION (US) 2000-04-25 US claimed
WO-1999055686-A2 PROCESS FOR THE PREPARATION OF TETRALONE IMINES FOR THE PREPARATION OF ACTIVE PHARMACEUTICAL COMPOUNDS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 1999-11-04 WO claimed
WO-1999036394-A1 NOVEL PROCESS FOR PREPARING A KETIMINE PFIZER PRODUCTS INC. (US) 1999-07-22 WO claimed
EP-0341015-A2 Improved process for preparing a ketimine PFIZER INC. (US) 1989-11-08 EP claimed
US-4855500-A Process for preparing a ketimine PFIZER INC. (US) 1989-08-08 US claimed

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-20070260090-A1 Highly Steroselective Synthesis of Sertraline HTR3A, TPH1, TPH2 SLC6A2 60/4885SLC6A4 22/4885SLC6A3 19/4885

“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.