SCHEMBL322302

SCHEMBL322302

CN1CCc2oc(-c3ccc(Br)cc3)nc2C1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
RAB9A P51151 2/20 0.46
MAPT P10636 1/20 0.46
GRM5 P41594 4/20 0.42
S1PR5 Q9H228 7/20 0.39
MAOB P27338 1/20 0.39
S1PR3 Q99500 3/20 0.37
S1PR1 P21453 2/20 0.37
MEN1 O00255 1/20 0.36
NPC1 O15118 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
CHRNA7 P36544 1/20 0.35
DGAT1 O75907 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL3585302 0.86 S1PR5 (0.43) RAB9AGRM5S1PR5S1PR3S1PR1
SCHEMBL30785574 0.86 GRM5 (0.45) RAB9AGRM5S1PR5MAOBS1PR3
SCHEMBL30785593 0.86 S1PR5 (0.48) RAB9AGRM5S1PR5MAOBS1PR3
SCHEMBL12691717 0.85 GRM5 (0.55) KMT2ARAB9AMAPTGRM5S1PR5
SCHEMBL19674729 0.82 S1PR5 (0.43) GRM5S1PR5S1PR3S1PR1
SCHEMBL30785570 0.82 GRM5 (0.50) GRM5S1PR5S1PR3S1PR1HRH4
SCHEMBL15164323 0.80 S1PR5 (0.49) GRM5S1PR5S1PR3S1PR1HRH3
SCHEMBL15164322 0.80 GRM5 (0.46) KMT2ARAB9AGRM5S1PR5S1PR3
SCHEMBL15164321 0.78 GRM5 (0.44) GRM5S1PR5S1PR1
SCHEMBL3582956 0.77 S1PR5 (0.49) MAPTGRM5S1PR5S1PR3S1PR1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE48301-E1 Fused heterocyclic derivatives as S1P modulators ABBVIE B.V. (NL) 2020-11-10 US disclosed
EP-2590980-B1 FUSED HETEROCYCLIC DERIVATIVES AS S1P MODULATORS ABBVIE BV (NL) 2017-09-20 EP disclosed
EP-2590980-B1 FUSED HETEROCYCLIC DERIVATIVES AS S1P MODULATORS ABBVIE BV (NL) 2017-09-20 EP disclosed
US-9670220-B2 Fused heterocyclic derivatives as S1P modulators ABBVIE B.V. (NL) 2017-06-06 US disclosed
US-9670220-B2 Fused heterocyclic derivatives as S1P modulators ABBVIE B.V. (NL) 2017-06-06 US disclosed
US-9670220-B2 Fused heterocyclic derivatives as S1P modulators ABBVIE B.V. (NL) 2017-06-06 US disclosed
US-20150284403-A1 FUSED HETEROCYCLIC DERIVATIVES AS S1P MODULATORS AbbVie Deutschland GmbH & Co. KG (DE) 2015-10-08 US disclosed
US-20150284403-A1 FUSED HETEROCYCLIC DERIVATIVES AS S1P MODULATORS AbbVie Deutschland GmbH & Co. KG (DE) 2015-10-08 US disclosed
US-20150284403-A1 FUSED HETEROCYCLIC DERIVATIVES AS S1P MODULATORS AbbVie Deutschland GmbH & Co. KG (DE) 2015-10-08 US disclosed
US-9096612-B2 Fused heterocyclic derivatives as S1P modulators ABBVIE B.V. (NL) 2015-08-04 US disclosed
US-8796262-B2 Fused heterocyclic derivatives as S1P modulators ABBVIE B.V. (NL) 2014-08-05 US disclosed
US-8796262-B2 Fused heterocyclic derivatives as S1P modulators ABBVIE B.V. (NL) 2014-08-05 US disclosed
US-20140066433-A1 FUSED HETEROCYCLIC DERIVATIVES AS S1P MODULATORS ABBVIE INC (US) 2014-03-06 US disclosed
US-20140066433-A1 FUSED HETEROCYCLIC DERIVATIVES AS S1P MODULATORS ABBVIE INC (US) 2014-03-06 US disclosed
US-20140066433-A1 FUSED HETEROCYCLIC DERIVATIVES AS S1P MODULATORS ABBVIE INC (US) 2014-03-06 US disclosed
US-20130203737-A1 FUSED HETEROCYCLIC DERIVATIVES AS S1P MODULATORS ABBVIE B.V. (NL) 2013-08-08 US disclosed
US-20130203737-A1 FUSED HETEROCYCLIC DERIVATIVES AS S1P MODULATORS ABBVIE B.V. (NL) 2013-08-08 US disclosed
US-20130203737-A1 FUSED HETEROCYCLIC DERIVATIVES AS S1P MODULATORS ABBVIE B.V. (NL) 2013-08-08 US disclosed
EP-2590980-A1 FUSED HETEROCYCLIC DERIVATIVES AS S1P MODULATORS ABBVIE B.V. (NL) 2013-05-15 EP disclosed
WO-2012004373-A1 FUSED HETEROCYCLIC DERIVATIVES AS S1P MODULATORS ABBOTT HEALTHCARE PRODUCTS B.V. (NL) 2012-01-12 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-20140066433-A1 FUSED HETEROCYCLIC DERIVATIVES AS S1P MODULATORS S1PR5, S1PR1, S1PR3 KMT2A 2449/4885RAB9A 1291/4885MAPT 837/4885
US-20130203737-A1 FUSED HETEROCYCLIC DERIVATIVES AS S1P MODULATORS S1PR3, S1PR1, S1PR2 KMT2A 2599/4885RAB9A 3304/4885MAPT 4622/4885
US-20150284403-A1 FUSED HETEROCYCLIC DERIVATIVES AS S1P MODULATORS S1PR5, S1PR1, S1PR3 KMT2A 2449/4885RAB9A 1291/4885MAPT 837/4885

“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.