SCHEMBL6152028

SCHEMBL6152028

COc1cc(Oc2ccc(C(N)=O)cc2CN(C)C)ccc1SC

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 18/20 0.59
SLC6A2 P23975 7/20 0.59
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
KMT2A Q03164 1/20 0.49
AR P10275 1/20 0.47
HTR2A P28223 2/20 0.46
KCNH2 Q12809 1/20 0.46
SLC6A3 Q01959 4/20 0.46

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
SCHEMBL6947231 0.90 SLC6A4 (0.67) SLC6A4SLC6A2HTR2AKCNH2SLC6A3
SCHEMBL6151620 0.86 SLC6A4 (0.64) SLC6A4SLC6A2ARHTR2AKCNH2
SCHEMBL6152162 0.84 SLC6A4 (0.65) SLC6A4SLC6A2HTR2AKCNH2SLC6A3
SCHEMBL6151207 0.82 SLC6A4 (0.69) SLC6A4SLC6A2MEN1ALDH1A1KMT2A
SCHEMBL6943295 0.80 SLC6A4 (0.80) SLC6A4SLC6A2SLC6A3
SCHEMBL6947234 0.79 SLC6A4 (0.65) SLC6A4SLC6A2MEN1ALDH1A1KMT2A
SCHEMBL6151977 0.77 SLC6A4 (0.40) SLC6A4SLC6A2MEN1ALDH1A1KMT2A
SCHEMBL7066916 0.76 SLC6A4 (0.67) SLC6A4SLC6A2HTR2AKCNH2SLC6A3
SCHEMBL7211594 0.76 SLC6A4 (0.69) SLC6A4SLC6A2ALDH1A1HTR2AKCNH2
SCHEMBL5878577 0.76 SLC6A4 (0.78) SLC6A4SLC6A2HTR2AKCNH2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1268396-A1 DIPHENYL ETHER COMPOUNDS USEFUL IN THERAPY Pfizer Limited (GB) 2003-01-02 EP claimed
US-6448293-B1 TREATMENT OR PREVENTION OF A DISORDER IN WHICH THE REGULATION OF MONOAMINE TRANSPORTER FUNCTION IS IMPLICATED, SUCH AS PREMATURE EJACULATION. PFIZER INC. 2002-09-10 US claimed
US-20020052395-A1 Diphenyl ether compounds useful in therapy ANDREWS MARK DAVID (GB) 2002-05-02 US claimed
WO-2001072687-A1 DIPHENYL ETHER COMPOUNDS USEFUL IN THERAPY PFIZER LIMITED (GB) 2001-10-04 WO claimed
EP-1268396-B1 DIPHENYL ETHER COMPOUNDS USEFUL IN THERAPY PFIZER LTD (GB) 2005-07-20 EP disclosed
EP-1268396-A1 DIPHENYL ETHER COMPOUNDS USEFUL IN THERAPY Pfizer Limited (GB) 2003-01-02 EP disclosed
US-6448293-B1 TREATMENT OR PREVENTION OF A DISORDER IN WHICH THE REGULATION OF MONOAMINE TRANSPORTER FUNCTION IS IMPLICATED, SUCH AS PREMATURE EJACULATION. PFIZER INC. 2002-09-10 US disclosed
US-20020052395-A1 Diphenyl ether compounds useful in therapy ANDREWS MARK DAVID (GB) 2002-05-02 US disclosed
WO-2001072687-A1 DIPHENYL ETHER COMPOUNDS USEFUL IN THERAPY PFIZER LIMITED (GB) 2001-10-04 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-20020052395-A1 Diphenyl ether compounds useful in therapy CBR1, OGFR, CBR3 SLC6A4 2002/4885SLC6A2 1349/4885MEN1 3590/4885

“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.