SCHEMBL6151597

SCHEMBL6151597

CN(C)Cc1cc(C(N)=O)ccc1Oc1ccc(OC(F)(F)F)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 15/20 1.00
SLC6A2 P23975 8/20 1.00
SLC6A3 Q01959 6/20 0.64
SCN9A Q15858 1/20 0.50
HTR2A P28223 2/20 0.46
KCNH2 Q12809 1/20 0.46
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44
LSS P48449 1/20 0.43
CCNC P24863 1/20 0.42
CDK8 P49336 1/20 0.42

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
SCHEMBL6151985 0.92 SLC6A4 (0.84) SLC6A4SLC6A2SLC6A3SCN9AHTR2A
SCHEMBL6151207 0.81 SLC6A4 (0.69) SLC6A4SLC6A2SLC6A3HTR2AKCNH2
SCHEMBL5878554 0.81 SLC6A4 (0.69) SLC6A4SLC6A2SLC6A3SCN9ALSS
SCHEMBL6151453 0.80 SLC6A4 (0.84) SLC6A4SLC6A2SLC6A3HTR2AKCNH2
SCHEMBL6152112 0.80 SLC6A4 (0.66) SLC6A4SLC6A2SLC6A3SCN9AHTR2A
SCHEMBL6152162 0.79 SLC6A4 (0.65) SLC6A4SLC6A2SLC6A3SCN9AHTR2A
SCHEMBL6152056 0.79 SLC6A4 (0.66) SLC6A4SLC6A2SLC6A3HTR2A
SCHEMBL6152245 0.79 SLC6A4 (0.66) SLC6A4SLC6A2SLC6A3HTR2A
SCHEMBL6153082 0.78 SLC6A4 (0.68) SLC6A4SLC6A2SLC6A3HTR2A
SCHEMBL6151447 0.78 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1268396-B1 DIPHENYL ETHER COMPOUNDS USEFUL IN THERAPY PFIZER LTD (GB) 2005-07-20 EP claimed
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 1349/4885SLC6A3 784/4885

“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.