SCHEMBL10041963

SCHEMBL10041963

CC1CCc2ccccc2/C1=N\O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.44
ACHE P22303 1/20 0.38
MAPT P10636 1/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 1/20 0.36
CYP2A6 P11509 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4E B2RXH2 1/20 0.35
CES1 P23141 1/20 0.35
LMNA P02545 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
NOS3 P29474 1/20 0.34
NOS2 P35228 1/20 0.34

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
SCHEMBL3370115 1.00 HPGD (0.49) HPGDL3MBTL1ACHEMAPTALDH1A1
SCHEMBL3370114 1.00 HPGD (0.49) HPGDL3MBTL1ACHEMAPTALDH1A1
SCHEMBL30363500 1.00 HPGD (0.49) HPGDL3MBTL1ACHEMAPTALDH1A1
SCHEMBL13114123 0.84 NOS3 (0.39) HPGDL3MBTL1ACHEMAPTALDH1A1
SCHEMBL354098 0.81 ACHE (0.53) HPGDL3MBTL1ACHEALDH1A1SMN1; SMN2
SCHEMBL5970427 0.81 ACHE (0.53) HPGDL3MBTL1ACHEALDH1A1SMN1; SMN2
SCHEMBL354099 0.81 ACHE (0.53) HPGDL3MBTL1ACHEALDH1A1SMN1; SMN2
SCHEMBL29410363 0.81 ACHE (0.53) HPGDL3MBTL1ACHEALDH1A1SMN1; SMN2
SCHEMBL6328564 0.79 HPGD (0.44) HPGDL3MBTL1MAPTALDH1A1SMN1; SMN2
SCHEMBL6328560 0.79 HPGD (0.44) HPGDL3MBTL1MAPTALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2816024-B1 Chiral amines SUNOVION PHARMACEUTICALS INC (US) 2017-08-02 EP disclosed
US-20160016891-A1 PREPARATION OF CHIRAL AMIDES AND AMINES SUNOVION PHARMACEUTICALS INC. 2016-01-21 US disclosed
US-20140057990-A1 PREPARATION OF CHIRAL AMIDES AND AMINES SUNOVION PHARMACEUTICALS INC. (US) 2014-02-27 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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 HPGD 582/4885L3MBTL1 4178/4885ACHE 63/4885
US-20180016224-A1 PREPARATION OF CHIRAL AMIDES AND AMINES PNMT, ALKBH2, ALKBH5 HPGD 630/4885L3MBTL1 4177/4885ACHE 61/4885
US-20160016891-A1 PREPARATION OF CHIRAL AMIDES AND AMINES PNMT, ALKBH5, ALKBH2 HPGD 582/4885L3MBTL1 4178/4885ACHE 63/4885
US-20120095106-A1 PREPARATION OF CHIRAL AMIDES AND AMINES PNMT, ALKBH5, ALKBH2 HPGD 582/4885L3MBTL1 4178/4885ACHE 63/4885
US-20140057990-A1 PREPARATION OF CHIRAL AMIDES AND AMINES PNMT, ALKBH5, ALKBH2 HPGD 582/4885L3MBTL1 4178/4885ACHE 63/4885

“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.