SCHEMBL3585302

SCHEMBL3585302

CN1CCc2oc(-c3ccc(O)cc3)nc2C1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 10/20 0.43
GRM5 P41594 2/20 0.42
USP7 Q93009 1/20 0.42
QDPR P09417 1/20 0.42
S1PR1 P21453 4/20 0.41
S1PR3 Q99500 3/20 0.41
ESR1 P03372 4/20 0.38
ESR2 Q92731 4/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
BRD4 O60885 1/20 0.37

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
SCHEMBL30785593 0.86 S1PR5 (0.48) S1PR5GRM5S1PR1S1PR3NPC1
SCHEMBL322302 0.86 KMT2A (0.46) S1PR5GRM5S1PR1S1PR3NPC1
SCHEMBL30785574 0.86 GRM5 (0.45) S1PR5GRM5S1PR3NPC1RAB9A
SCHEMBL12691717 0.85 GRM5 (0.55) S1PR5GRM5NPC1RAB9A
SCHEMBL30785570 0.82 GRM5 (0.50) S1PR5GRM5S1PR1S1PR3
SCHEMBL3665854 0.81 GRM5 (0.45) S1PR5GRM5S1PR1S1PR3
SCHEMBL15164323 0.80 S1PR5 (0.49) S1PR5GRM5S1PR1S1PR3
SCHEMBL15164322 0.80 GRM5 (0.46) S1PR5GRM5S1PR1S1PR3NPC1
SCHEMBL19674729 0.80 S1PR5 (0.43) S1PR5GRM5S1PR1S1PR3
SCHEMBL28766815 0.80 S1PR5 (0.46) S1PR5GRM5S1PR1S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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-20100009969-A1 Fused Oxazoles & Thiazoles As Histamine H3- Receptor Ligands UCB PHARMA, S.A. (BE) 2010-01-14 US disclosed
US-20100009969-A1 Fused Oxazoles & Thiazoles As Histamine H3- Receptor Ligands UCB PHARMA, S.A. (BE) 2010-01-14 US disclosed
US-20100009969-A1 Fused Oxazoles & Thiazoles As Histamine H3- Receptor Ligands UCB PHARMA, S.A. (BE) 2010-01-14 US disclosed
EP-2049548-A1 FUSED OXAZOLES & THIAZOLES AS HISTAMINE H3- RECEPTOR LIGANDS UCB Pharma, S.A. (BE) 2009-04-22 EP disclosed
WO-2008012010-A1 FUSED OXAZOLES & THIAZOLES AS HISTAMINE H3- RECEPTOR LIGANDS UCB PHARMA, S.A. (BE) 2008-01-31 WO disclosed
WO-2008012010-A1 FUSED OXAZOLES & THIAZOLES AS HISTAMINE H3- RECEPTOR LIGANDS UCB PHARMA, S.A. (BE) 2008-01-31 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 (4 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 S1PR5 1/4885GRM5 46/4885USP7 4750/4885
US-20130203737-A1 FUSED HETEROCYCLIC DERIVATIVES AS S1P MODULATORS S1PR3, S1PR1, S1PR2 S1PR5 5/4885GRM5 1021/4885USP7 4798/4885
US-20150284403-A1 FUSED HETEROCYCLIC DERIVATIVES AS S1P MODULATORS S1PR5, S1PR1, S1PR3 S1PR5 1/4885GRM5 46/4885USP7 4750/4885
US-20100009969-A1 Fused Oxazoles & Thiazoles As Histamine H3- Receptor Ligands HRH3, HRH4, HRH2 S1PR5 759/4885GRM5 204/4885USP7 2065/4885

“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.