SCHEMBL331963

SCHEMBL331963

CC(=O)NC1=CCC(c2ccc(Cl)c(Cl)c2)c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 11/20 0.44
SLC6A4 P31645 11/20 0.44
SLC6A3 Q01959 11/20 0.44
CYP3A4 P08684 5/20 0.44
TP53 P04637 4/20 0.44
CYP1A2 P05177 3/20 0.44
CYP2C19 P33261 3/20 0.44
MAPK1 P28482 3/20 0.44
NPC1 O15118 2/20 0.44
CYP2D6 P10635 2/20 0.44
MTOR P42345 2/20 0.44
RAB9A P51151 2/20 0.44
TSHR P16473 2/20 0.44
NFKB1 P19838 2/20 0.44
THPO P40225 2/20 0.44
CYP2C9 P11712 1/20 0.44
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
MAPT P10636 3/20 0.43
GMNN O75496 2/20 0.43

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
SCHEMBL331962 1.00 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3CYP3A4TP53
SCHEMBL29757853 1.00 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3CYP3A4TP53
SCHEMBL20341083 1.00 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3CYP3A4TP53
SCHEMBL20340496 0.91 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3CYP3A4TP53
SCHEMBL10050930 0.91 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3CYP3A4TP53
SCHEMBL10070677 0.91 SMN1; SMN2 (0.40) SLC6A2SLC6A4SLC6A3CYP3A4TP53
SCHEMBL10071233 0.91 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3CYP3A4TP53
SCHEMBL15491022 0.88 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3CYP3A4TP53
SCHEMBL20436753 0.85 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3CYP3A4TP53
SCHEMBL5886643 0.84 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3CYP3A4TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3800178-A1 PREPARATION OF ENAMIDE INTERMEDIATE FOR THE SYNTHESIS OF DASOTRALINE Moehs Ibérica, S.L. (ES) 2021-04-07 EP claimed
EP-3800178-A1 PREPARATION OF ENAMIDE INTERMEDIATE FOR THE SYNTHESIS OF DASOTRALINE Moehs Ibérica, S.L. (ES) 2021-04-07 EP disclosed
EP-3800178-A1 PREPARATION OF ENAMIDE INTERMEDIATE FOR THE SYNTHESIS OF DASOTRALINE Moehs Ibérica, S.L. (ES) 2021-04-07 EP disclosed
US-10435351-B2 Enamide process SUNOVION PHARMACEUTICALS INC. (US) 2019-10-08 US disclosed
US-20180215702-A1 ENAMIDE PROCESS SUNOVION PHARMACEUTICALS INC. 2018-08-02 US disclosed
US-10011559-B2 Preparation of chiral amides and amines SUNOVION PHARMACEUTICALS INC. (US) 2018-07-03 US disclosed
US-10011559-B2 Preparation of chiral amides and amines SUNOVION PHARMACEUTICALS INC. (US) 2018-07-03 US disclosed
US-20180016224-A1 PREPARATION OF CHIRAL AMIDES AND AMINES SUNOVION PHARMACEUTICALS INC. 2018-01-18 US disclosed
US-20180016224-A1 PREPARATION OF CHIRAL AMIDES AND AMINES SUNOVION PHARMACEUTICALS INC. 2018-01-18 US disclosed
EP-2816024-B1 Chiral amines SUNOVION PHARMACEUTICALS INC (US) 2017-08-02 EP disclosed
CN-103588659-A Preparation of chiral amides and amines SEPRACOR INC 2014-02-19 CN disclosed
US-8524950-B2 Preparation of chiral amides and amines SUNOVION PHARMACEUTICALS INC. (US) 2013-09-03 US disclosed
US-20120095106-A1 PREPARATION OF CHIRAL AMIDES AND AMINES SUNOVION PHARMACEUTICALS INC. (US) 2012-04-19 US disclosed
US-20120095106-A1 PREPARATION OF CHIRAL AMIDES AND AMINES SUNOVION PHARMACEUTICALS INC. (US) 2012-04-19 US disclosed
US-8097760-B2 Preparation of chiral amides and amines Sunovion Pharmacuticals Inc. (US) 2012-01-17 US disclosed
US-8097760-B2 Preparation of chiral amides and amines Sunovion Pharmacuticals Inc. (US) 2012-01-17 US disclosed
US-8097760-B2 Preparation of chiral amides and amines Sunovion Pharmacuticals Inc. (US) 2012-01-17 US disclosed
US-20090149549-A1 PREPARATION OF CHIRAL AMIDES AND AMINES SUNOVION PHARMACEUTICALS INC. 2009-06-11 US disclosed
US-20090149549-A1 PREPARATION OF CHIRAL AMIDES AND AMINES SUNOVION PHARMACEUTICALS INC. 2009-06-11 US disclosed
US-20090149549-A1 PREPARATION OF CHIRAL AMIDES AND AMINES SUNOVION PHARMACEUTICALS INC. 2009-06-11 US 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-10011559-B2 Preparation of chiral amides and amines PNMT, ALKBH5, ALKBH2 SLC6A2 374/4885SLC6A4 827/4885SLC6A3 1382/4885
US-20180016224-A1 PREPARATION OF CHIRAL AMIDES AND AMINES PNMT, ALKBH2, ALKBH5 SLC6A2 363/4885SLC6A4 825/4885SLC6A3 1452/4885
US-20090149549-A1 PREPARATION OF CHIRAL AMIDES AND AMINES PNMT, ALKBH5, ALKBH2 SLC6A2 374/4885SLC6A4 827/4885SLC6A3 1382/4885
US-20120095106-A1 PREPARATION OF CHIRAL AMIDES AND AMINES PNMT, ALKBH5, ALKBH2 SLC6A2 374/4885SLC6A4 827/4885SLC6A3 1382/4885
US-20180215702-A1 ENAMIDE PROCESS ENO1, ENY2, ALKBH2 SLC6A2 1680/4885SLC6A4 3378/4885SLC6A3 3049/4885
US-10435351-B2 Enamide process ENO1, ENY2, ALKBH2 SLC6A2 1680/4885SLC6A4 3378/4885SLC6A3 3049/4885

“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.