SCHEMBL5333062

SCHEMBL5333062

NCc1ccccc1Sc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.53
SLC6A4 P31645 5/20 0.50
SLC6A2 P23975 4/20 0.50
SLC6A3 Q01959 3/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
HPGD P15428 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 1/20 0.49
SIRT1 Q96EB6 1/20 0.46
DPP4 P27487 1/20 0.43
CYP2D6 P10635 1/20 0.43
PNMT P11086 1/20 0.41
HTR1A P08908 1/20 0.41
HTR3A P46098 1/20 0.41
KDM4E B2RXH2 1/20 0.40
NSD2 O96028 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL27825329 0.88 MMP2 (0.49) CHRNA7SLC6A4SLC6A2SLC6A3CYP2C9
SCHEMBL27907181 0.86 SLC6A4 (0.61) SLC6A4SLC6A2SLC6A3CYP2C9CYP2C19
SCHEMBL4385189 0.83 CYP2C9 (0.51) CHRNA7SLC6A4SLC6A2SLC6A3CYP2C9
SCHEMBL9173697 0.79 MAOA (0.47) CHRNA7SLC6A4SLC6A2SLC6A3CYP2C9
SCHEMBL9472324 0.78 APOBEC3G (0.61) CHRNA7SLC6A4SLC6A2SLC6A3CYP2C9
SCHEMBL223717 0.78 CHRNA7 (0.53) CHRNA7SLC6A4SLC6A2SLC6A3CYP2C9
SCHEMBL3484527 0.78 CHRNA7 (0.53) CHRNA7SLC6A4SLC6A2SLC6A3CYP2C9
SCHEMBL29582043 0.78 CHRNA7 (0.53) CHRNA7SLC6A4SLC6A2SLC6A3CYP2C9
SCHEMBL1786728 0.78 CHRNA7 (0.53) CHRNA7SLC6A4SLC6A2SLC6A3CYP2C9
SCHEMBL15357914 0.77 PDE7A (0.50) CHRNA7SLC6A4SLC6A2SLC6A3HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0396827-A1 2-Phenylthiobenzylamine dervivatives and acid addition salts thereof SPOFA Spojené Podniky Pro Zdravotnickou Vyrobu (CS) 1990-11-14 EP claimed
US-8906915-B2 Compounds, compositions, and methods for controlling biofilms KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2014-12-09 US disclosed
US-8906915-B2 Compounds, compositions, and methods for controlling biofilms KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2014-12-09 US disclosed
US-20130029981-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR CONTROLLING BIOFILMS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2013-01-31 US disclosed
US-20130029981-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR CONTROLLING BIOFILMS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2013-01-31 US disclosed
EP-1791807-A1 THERAPEUTIC DIPHENYL ETHER LIGANDS Pfizer Products Incorporated (US) 2007-06-06 EP disclosed
WO-2007036781-A1 DIPHENYL ETHER MONOAMINE REUPTAKE INHIBITOR PFIZER PRODUCTS INC. (US) 2007-04-05 WO disclosed
US-7084165-B2 Monoamine reuptake inhibitors for treatment of CNS disorders PFIZER INC (US) 2006-08-01 US disclosed
WO-2006027684-A1 THERAPEUTIC DIPHENYL ETHER LIGANDS PFIZER PRODUCTS INC. (US) 2006-03-16 WO disclosed
US-20060058361-A1 Therapeutic diphenyl ether ligands PFIZER INC 2006-03-16 US disclosed
US-6410736-B1 CENTRAL NERVOUS SYSTEM DISORDERS PFIZER INC. 2002-06-25 US disclosed
EP-1154984-A1 INHIBITORS FOR UPTAKE OF SEROTONINE, DOPAMINE OR NOREPINEPHRINE Pfizer Products Inc. (US) 2001-11-21 EP disclosed
WO-2001027068-A1 BIARYL ETHER DERIVATIVES USEFUL AS MONOAMINE REUPTAKE INHIBITORS PFIZER PRODUCTS INC. (US) 2001-04-19 WO disclosed
WO-2000050380-A1 MONOAMINE REUPTAKE INHIBITORS FOR TREATMENT OF CNS DISORDERS PFIZER PRODUCTS INC. (US) 2000-08-31 WO disclosed
EP-0396827-A1 2-Phenylthiobenzylamine dervivatives and acid addition salts thereof SPOFA Spojené Podniky Pro Zdravotnickou Vyrobu (CS) 1990-11-14 EP disclosed
EP-0396827-A1 2-Phenylthiobenzylamine dervivatives and acid addition salts thereof SPOFA Spojené Podniky Pro Zdravotnickou Vyrobu (CS) 1990-11-14 EP disclosed
US-4055665-A Treating arrythmia with phenylthioaralkylamines MERCK & CO., INC. (US) 1977-10-25 US disclosed
US-4055665-A Treating arrythmia with phenylthioaralkylamines MERCK & CO., INC. (US) 1977-10-25 US disclosed
US-4018830-A Phenylthioaralkylamines MERCK & CO., INC. (US) 1977-04-19 US disclosed
US-4018830-A Phenylthioaralkylamines MERCK & CO., INC. (US) 1977-04-19 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 (2 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-20130029981-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR CONTROLLING BIOFILMS AZI2, NOD1, AADAC CHRNA7 4657/4885SLC6A4 3315/4885SLC6A2 3023/4885
US-20060058361-A1 Therapeutic diphenyl ether ligands HTR2B, HTR2C, HTR3B CHRNA7 321/4885SLC6A4 150/4885SLC6A2 386/4885

“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.