SCHEMBL5878554

SCHEMBL5878554

CN(C)Cc1cc(C(N)=O)cnc1Oc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 0.69
SLC6A2 P23975 5/20 0.69
SLC6A3 Q01959 3/20 0.48
SCN9A Q15858 3/20 0.41
LSS P48449 1/20 0.41
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
ABL1 P00519 5/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
BCR P11274 3/20 0.39
FPR2 P25090 2/20 0.39
MAPK8 P45983 1/20 0.38
MAPK10 P53779 1/20 0.38

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
SCHEMBL5878901 0.90 SLC6A4 (0.57) SLC6A4SLC6A2SLC6A3LSSABL1
SCHEMBL5878713 0.89 SLC6A4 (0.57) SLC6A4SLC6A2SLC6A3ABL1
SCHEMBL6151597 0.81 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3SCN9ALSS
SCHEMBL5878919 0.80 SLC6A4 (0.52) SLC6A4SLC6A2SLC6A3SCN9A
SCHEMBL6151985 0.78 SLC6A4 (0.84) SLC6A4SLC6A2SLC6A3SCN9ALSS
SCHEMBL5530111 0.71 OPRM1 (0.56) SLC6A4SLC6A2SLC6A3ABL1BCR
SCHEMBL6159785 0.69 CCNC (0.41) SLC6A4SLC6A2SCN9ACCNCCDK8
SCHEMBL28562862 0.69 SMN1; SMN2 (0.53) CCNCCDK8MAPK8MAPK10
SCHEMBL21628389 0.69 CHEK2 (0.45)
SCHEMBL6151453 0.69 SLC6A4 (0.84) SLC6A4SLC6A2SLC6A3LSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7129234-B2 Phenyl heterocyclyl ethers PFIZER INC. (US) 2006-10-31 US disclosed
EP-1377550-B9 PHENYL HETEROCYCLYL ETHER DERIVATIVES AS SEROTONIN RE-UPTAKE INHIBITORS PFIZER LTD (GB) 2005-11-23 EP disclosed
EP-1377550-B1 PHENYL HETEROCYCLYL ETHER DERIVATIVES AS SEROTONIN RE-UPTAKE INHIBITORS PFIZER LTD (GB) 2004-11-03 EP disclosed
US-20040106594-A1 Phenyl heterocyclyl ethers PFIZER INC 2004-06-03 US disclosed
US-20030207857-A1 Phenyl heterocyclyl ethers PFIZER INC. 2003-11-06 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-20030207857-A1 Phenyl heterocyclyl ethers CYP2E1, CYP1A1, CCNI SLC6A4 3835/4885SLC6A2 4120/4885SLC6A3 3857/4885
US-20040106594-A1 Phenyl heterocyclyl ethers CYP2E1, CYP1A1, CCNI SLC6A4 3835/4885SLC6A2 4120/4885SLC6A3 3857/4885

“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.