SCHEMBL3918953

SCHEMBL3918953

Oc1ccc(Br)cc1OCc1cccc(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 8/20 0.58
▸ HTR6 P50406 2/20 0.58
▸ HTR2A P28223 1/20 0.58
▸ HTR2C P28335 1/20 0.58
▸ HTR2B P41595 1/20 0.58
▸ CCR5 P51681 1/20 0.56
▸ ENPP2 Q13822 1/20 0.52

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
Benzyl Bromide SCHEMBL5708217 0.92 SLC6A4 (0.52) SLC6A4HTR6HTR2AHTR2CHTR2B
SCHEMBL2282637 0.88 CCR5 (0.59) SLC6A4HTR6HTR2AHTR2CHTR2B
SCHEMBL3418336 0.83 PTGES (0.55) SLC6A4CCR5
SCHEMBL3929012 0.82 CYP1A2 (0.61) SLC6A4HTR6HTR2C
SCHEMBL3918664 0.82 MAOB (0.51) SLC6A4CCR5
SCHEMBL11083786 0.81 ENPP2 (0.66) SLC6A4HTR2AHTR2CHTR2BENPP2
SCHEMBL2285821 0.80 CCR5 (0.57) SLC6A4HTR6HTR2AHTR2CHTR2B
SCHEMBL1648397 0.79 LRRK2 (0.67) SLC6A4HTR6HTR2AHTR2CHTR2B
SCHEMBL2280383 0.78 SLC6A4 (0.57) SLC6A4HTR6HTR2AHTR2CHTR2B
SCHEMBL1333544 0.76 SLC6A4 (0.54) SLC6A4HTR2CHTR2BENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7598266-B2 Fused heterocyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-10-06 — — US disclosed
US-7544707-B2 Bicyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-06-09 — — US disclosed
US-20090054479-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS CONNER SCOTT EUGENE 2009-02-26 — — US disclosed
US-7384965-B2 Fused heterocyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2008-06-10 — — US disclosed
US-20070106081-A1 Bicyclic derivatives as ppar modulators ELI LILLY AND COMPANY 2007-05-10 — — US disclosed
US-20060257987-A1 Ppar modulators ELI LILLY AND COMPANY 2006-11-16 — — US disclosed
EP-1706386-A1 BICYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2006-10-04 — — EP disclosed
US-20060205744-A1 Fused heterocyclic derivatives as ppar modulators ELI LILLY AND COMPANY PATENT DIVISION (US) 2006-09-14 — — US disclosed
EP-1660428-A1 PPAR MODULATORS ELI LILLY AND COMPANY (US) 2006-05-31 — — EP disclosed
EP-1585726-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-10-19 — — EP disclosed
WO-2005066136-A1 BICYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-07-21 — — WO disclosed
WO-2005019151-A1 PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-03-03 — — WO disclosed
WO-2004063155-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2004-07-29 — — 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 (3 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-20060205744-A1 Fused heterocyclic derivatives as ppar modulators PPARA, PPARG, PPARD SLC6A4 2300/4885HTR6 2503/4885HTR2A 1961/4885
US-20070106081-A1 Bicyclic derivatives as ppar modulators PPARD, PPARA, PPARG SLC6A4 1457/4885HTR6 825/4885HTR2A 509/4885
US-20090054479-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS PPARA, PPARG, PPARD SLC6A4 2233/4885HTR6 2342/4885HTR2A 1671/4885

“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.

Send feedback