SCHEMBL15565685

SCHEMBL15565685

CCCCCCCOc1cccc2cc(Br)ccc12

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 7/20 0.49
MCHR1 Q99705 2/20 0.48
HTR1D P28221 2/20 0.47
CNR1 P21554 2/20 0.46
CNR2 P34972 2/20 0.46
SLC6A4 P31645 2/20 0.46
KCNA3 P22001 1/20 0.45
TLR8 Q9NR97 1/20 0.45
CYP2C9 P11712 1/20 0.44
HRH1 P35367 1/20 0.43
MAPT P10636 1/20 0.43
EGFR P00533 1/20 0.43

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
SCHEMBL17919856 0.94 HTR1B (0.51) HTR1BMCHR1HTR1DCNR1CNR2
SCHEMBL4853806 0.82 SMN1; SMN2 (0.45) MAPT
SCHEMBL249286 0.82 KCNA3 (0.55) HTR1BMCHR1HTR1DCNR1CNR2
SCHEMBL3696854 0.81 HTR1B (0.69) HTR1BHTR1DCNR1CNR2SLC6A4
SCHEMBL755688 0.81 HTR1B (0.69) HTR1BHTR1DCNR1CNR2SLC6A4
SCHEMBL1681954 0.81 HTR1B (0.69) HTR1BHTR1DCNR1CNR2SLC6A4
SCHEMBL18551586 0.81 HTR1B (0.69) HTR1BHTR1DCNR1CNR2SLC6A4
SCHEMBL20506760 0.81 HTR1B (0.69) HTR1BHTR1DCNR1CNR2SLC6A4
SCHEMBL10589534 0.81 HTR1B (0.69) HTR1BHTR1DCNR1CNR2SLC6A4
SCHEMBL30516172 0.81 HTR1B (0.69) HTR1BHTR1DCNR1CNR2SLC6A4

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
US-10273234-B2 Compounds that are S1P modulating agents and/or ATX modulating agents BIOGEN MA INC. (US) 2019-04-30 US disclosed
EP-2879674-B1 COMPOUNDS THAT ARE S1P MODULATING AGENTS AND/OR ATX MODULATING AGENTS BIOGEN MA INC (US) 2017-11-22 EP disclosed
EP-2879674-B1 COMPOUNDS THAT ARE S1P MODULATING AGENTS AND/OR ATX MODULATING AGENTS BIOGEN MA INC (US) 2017-11-22 EP disclosed
US-20150203493-A1 COMPOUNDS THAT ARE S1P MODULATING AGENTS AND/OR ATX MODULATING AGENTS BIOGEN IDEC MA INC. (US) 2015-07-23 US disclosed
US-20150203493-A1 COMPOUNDS THAT ARE S1P MODULATING AGENTS AND/OR ATX MODULATING AGENTS BIOGEN IDEC MA INC. (US) 2015-07-23 US disclosed
US-20150203493-A1 COMPOUNDS THAT ARE S1P MODULATING AGENTS AND/OR ATX MODULATING AGENTS BIOGEN IDEC MA INC. (US) 2015-07-23 US disclosed
EP-2879674-A1 COMPOUNDS THAT ARE S1P MODULATING AGENTS AND/OR ATX MODULATING AGENTS Biogen MA Inc. (US) 2015-06-10 EP disclosed
WO-2014025708-A1 COMPOUNDS THAT ARE S1P MODULATING AGENTS AND/OR ATX MODULATING AGENTS BIOGEN IDEC MA INC. (US) 2014-02-13 WO disclosed
WO-2014025708-A1 COMPOUNDS THAT ARE S1P MODULATING AGENTS AND/OR ATX MODULATING AGENTS BIOGEN IDEC MA INC. (US) 2014-02-13 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 (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-10273234-B2 Compounds that are S1P modulating agents and/or ATX modulating agents ENPP2, S1PR1, S1PR2 HTR1B 188/4885MCHR1 698/4885HTR1D 463/4885
US-20150203493-A1 COMPOUNDS THAT ARE S1P MODULATING AGENTS AND/OR ATX MODULATING AGENTS ENPP2, S1PR1, S1PR2 HTR1B 188/4885MCHR1 698/4885HTR1D 463/4885

“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.