SCHEMBL6495103

SCHEMBL6495103

Fc1cccc(CCSCCc2cccc(F)c2)c1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.63
SLC6A3 Q01959 2/20 0.52
IDO1 P14902 2/20 0.50
AGXT P21549 2/20 0.50
DAO P14920 2/20 0.49
DRD2 P14416 1/20 0.49
SLC6A4 P31645 1/20 0.49
GLS O94925 1/20 0.47
MIF P14174 1/20 0.46
TP53 P04637 1/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MPO P05164 1/20 0.44

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
SCHEMBL775468 0.88 TAAR1 (0.55) TAAR1SLC6A3IDO1AGXTDAO
SCHEMBL3371633 0.85 TAAR1 (0.74) TAAR1SLC6A3IDO1AGXTDAO
SCHEMBL22857553 0.83 TAAR1 (0.59) TAAR1SLC6A3IDO1AGXTDAO
SCHEMBL19432539 0.83 TAAR1 (0.59) TAAR1SLC6A3IDO1AGXTDAO
SCHEMBL30753694 0.80 TP53 (0.56) TAAR1IDO1AGXTDAOMIF
SCHEMBL23014831 0.79 TAAR1 (0.46) TAAR1SLC6A3DRD2SLC6A4
SCHEMBL576677 0.79 RAB9A (0.54) TAAR1IDO1AGXTDAOMIF
SCHEMBL29723380 0.79 RAB9A (0.54) TAAR1IDO1AGXTDAOMIF
SCHEMBL144864 0.79 TAAR1 (0.72) TAAR1SLC6A3IDO1AGXTDAO
SCHEMBL8591746 0.79 TAAR1 (0.65) TAAR1SLC6A3IDO1AGXTDAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9590270-B2 Nonaqueous electrolyte for secondary battery and nonaqueous-electrolyte secondary battery employing the same MITSUBISHI CHEMICAL CORPORATION (JP) 2017-03-07 US disclosed
US-9553334-B2 2017-01-24 US disclosed
US-9281541-B2 Nonaqueous electrolyte for secondary battery and nonaqueous-electrolyte secondary battery employing the same MITSUBISHI CHEMICAL CORPORATION (JP) 2016-03-08 US disclosed
US-6858603-B2 Acetindine derivatives, their preparation and medicaments containing them AVENTIS PHARMA S.A. (FR) 2005-02-22 US disclosed
US-20030162808-A1 Acetindine derivatives, their preparation and medicaments containing them AVENTIS PHARMA S.A. (FR) 2003-08-28 US disclosed
US-6518264-B2 For treatment/prevention of psychoses, other brain disorders, and cardiovascular disorders AVENTIS PHARMA S.A. (FR) 2003-02-11 US disclosed
US-20020035102-A1 Azetidine derivatives, their preparation and medicaments containing them AVENTIS PHARMA S.A. (FR) 2002-03-21 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-20020035102-A1 Azetidine derivatives, their preparation and medicaments containing them CYP11B2, AZI2, CYP2C19 TAAR1 2844/4885SLC6A3 2998/4885IDO1 911/4885
US-20030162808-A1 Acetindine derivatives, their preparation and medicaments containing them ADRA1D, ADRB2, AZI2 TAAR1 1531/4885SLC6A3 1305/4885IDO1 391/4885

“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.