SCHEMBL6536162

SCHEMBL6536162

OC1COCCN1c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
AKR1C3 P42330 2/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KDM4E B2RXH2 1/20 0.37
PIK3C3 Q8NEB9 4/20 0.36
MAPT P10636 3/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RAB9A P51151 2/20 0.36
KMO O15229 1/20 0.36
NR3C2 P08235 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 2/20 0.35
AR P10275 1/20 0.35
ATM Q13315 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAOB P27338 1/20 0.35

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
Hydrochloric Acid SCHEMBL28132667 0.98 LMNA (0.46) LMNAAKR1C3CYP2C9CYP2C19KDM4E
SCHEMBL18427387 0.82 MTOR (0.36) LMNACYP2C9CYP2C19KDM4EPIK3C3
Hydrochloric Acid SCHEMBL28134452 0.81 MAPT (0.38) LMNACYP2C9CYP2C19KDM4EPIK3C3
SCHEMBL10880845 0.78 LMNA (0.47) LMNAAKR1C3CYP2C9CYP2C19KDM4E
SCHEMBL31051684 0.78 LMNA (0.47) LMNAAKR1C3CYP2C9CYP2C19KDM4E
SCHEMBL27878581 0.78 LMNA (0.47) LMNAAKR1C3CYP2C9CYP2C19KDM4E
SCHEMBL31051683 0.78 LMNA (0.47) LMNAAKR1C3CYP2C9CYP2C19KDM4E
SCHEMBL137068 0.78 LMNA (0.47) LMNAAKR1C3CYP2C9CYP2C19KDM4E
SCHEMBL27320448 0.78 PIK3C3 (0.54) LMNAPIK3C3
SCHEMBL27318560 0.78 PIK3C3 (0.54) LMNAPIK3C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012118562-A1 COMPOSITIONS AND METHODS FOR TREATING DEPRESSION, ADHD AND OTHER CENTRAL NERVOUS SYSTEM DISORDERS EMPLOYING NOVEL BUPROPION COMPOUNDS, AND METHODS FOR PRODUCTION AND USE OF NOVEL BUPROPION COMPOUNDS AND FORMULATIONS RHINE PHARMACEUTICALS, LLC (US) 2012-09-07 WO disclosed
EP-1434875-A4 GENE POLYMORPHISMS AND RESPONSE TO TREATMENT SMITHKLINE BEECHAM CORP (US) 2004-12-22 EP disclosed
EP-1434875-A1 GENE POLYMORPHISMS AND RESPONSE TO TREATMENT SmithKline Beecham Corporation (US) 2004-07-07 EP disclosed
US-20030100479-A1 Gene polymorphisms and response to treatment DOW DAVID J (GB) 2003-05-29 US disclosed
WO-2003018843-A1 GENE POLYMORPHISMS AND RESPONSE TO TREATMENT SMITHKLINE BEECHAM CORPORATION (US) 2003-03-06 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-20030100479-A1 Gene polymorphisms and response to treatment SLC6A2, SLC6A4, SLC6A3 LMNA 3593/4885AKR1C3 555/4885CYP2C9 1326/4885

“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.