SCHEMBL7129893

SCHEMBL7129893

O=Cc1cc(Br)ccc1Oc1ccc2c(c1)CCS2

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.39
ERN1 O75460 1/20 0.35
RYR2 Q92736 6/20 0.32
KCNH2 Q12809 1/20 0.32
LMNA P02545 2/20 0.31
CYP2A6 P11509 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
SLC2A1 P11166 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
EPAS1 Q99814 1/20 0.30
CTSL P07711 1/20 0.30

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
SCHEMBL7206556 0.75 SLC6A4 (0.58) SLC6A4KCNH2
SCHEMBL7206520 0.73 SLC6A4 (0.56) SLC6A4RYR2KCNH2LMNAALDH1A1
SCHEMBL30016658 0.72 CTSL (0.42) SLC6A4RYR2KCNH2CTSL
SCHEMBL3115309 0.72 CTSL (0.42) SLC6A4RYR2KCNH2CTSL
SCHEMBL2881823 0.72 HTR2A (0.53) SLC6A4PTGDR2ERN1KCNH2ALDH1A1
SCHEMBL274863 0.71 PTGDR2 (0.48) SLC6A4PTGDR2ERN1LMNAALDH1A1
SCHEMBL275629 0.71 LMNA (0.61) PTGDR2ERN1LMNACYP2A6ALDH1A1
SCHEMBL2075254 0.70 LMNA (0.62) SLC6A4PTGDR2ERN1LMNAALDH1A1
SCHEMBL19865453 0.68 EPAS1 (0.49) PTGDR2ERN1LMNAGAAKMT2A
SCHEMBL12438312 0.68 MAOB (0.45) SLC6A4PTGDR2ERN1LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6610747-B2 Such as 4-(2,3-dihydro-1-benzothien-5-yloxy)-3-((methylamino) methyl)-benzenesulfonamide for use as serotonin re-uptake inhibitors (SSRIs) in treatment of depression, attention deficit hyperactivity disorder, obsessive-compulsive disorder PFIZER INC. 2003-08-26 US disclosed
EP-1313701-A1 PHENOXYBENZYLAMINE DERIVATIVES AS SELECTIVE SEROTONIN RE-UPTAKE INHIBITORS Pfizer Limited (GB) 2003-05-28 EP disclosed
US-20030060456-A1 Such as 4-(2,3-dihydro-1-benzothien-5-yloxy)-3-((methylamino) methyl)-benzenesulfonamide for use as serotonin re-uptake inhibitors (SSRIs) in treatment of depression, attention deficit hyperactivity disorder, obsessive-compulsive disorder PFIZER INC. 2003-03-27 US disclosed
WO-2002018333-A1 PHENOXYBENZYLAMINE DERIVATIVES AS SELECTIVE SEROTONIN RE-UPTAKE INHIBITORS PFIZER LIMITED (GB) 2002-03-07 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-20030060456-A1 Such as 4-(2,3-dihydro-1-benzothien-5-yloxy)-3-((methylamino) methyl)-benzenesulfonamide for use as serotonin re-uptake inhibitors (SSRIs) in treatment of depression, attention deficit hyperactivity disorder, obsessive-compulsive disorder HTR6, HTR2C, SLC6A3 SLC6A4 5/4885PTGDR2 1343/4885ERN1 3430/4885

“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.