SCHEMBL400589

SCHEMBL400589

O=C(O)c1cnc(N2CCCC2)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.49
CNR2 P34972 1/20 0.48
ALDH1A1 P00352 1/20 0.48
P2RY12 Q9H244 9/20 0.47
AOC3 Q16853 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MAPT P10636 3/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GAA P10253 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL3672676 0.98 TRPV1 (0.51) TRPV1CNR2ALDH1A1P2RY12AOC3
SCHEMBL3957333 0.86 POLB (0.59) TRPV1ALDH1A1P2RY12AOC3MAPT
SCHEMBL3926746 0.86 P2RY12 (0.45) TRPV1P2RY12AOC3NPC1RAB9A
SCHEMBL14183842 0.86 P2RY12 (0.50) P2RY12AOC3MAPTHPGDHTT
Hydrochloric Acid SCHEMBL23064299 0.85 P2RY12 (0.44) TRPV1P2RY12AOC3NPC1RAB9A
Hydrochloric Acid SCHEMBL31050106 0.85 P2RY12 (0.44) TRPV1P2RY12AOC3NPC1RAB9A
Piperazine SCHEMBL4103041 0.85 P2RY12 (0.44) TRPV1P2RY12AOC3NPC1RAB9A
SCHEMBL3690660 0.84 KMT2A (0.49) P2RY12AOC3NPC1RAB9AMAPT
SCHEMBL29079000 0.84 MPL (0.52) MAPTSMN1; SMN2GAACYP2C9CYP2C19
SCHEMBL24214065 0.84 SMN1; SMN2 (0.43) TRPV1P2RY12AOC3NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2206710-B1 Indole derivatives as S1P1 receptor agonists GLAXO GROUP LTD (GB) 2012-07-04 EP disclosed
EP-2206710-B1 Indole derivatives as S1P1 receptor agonists GLAXO GROUP LTD (GB) 2012-07-04 EP disclosed
US-8101775-B2 Indole derivatives as S1P1 Receptor GLAXO GROUP LIMITED (GB) 2012-01-24 US disclosed
US-8101775-B2 Indole derivatives as S1P1 Receptor GLAXO GROUP LIMITED (GB) 2012-01-24 US disclosed
US-8101775-B2 Indole derivatives as S1P1 Receptor GLAXO GROUP LIMITED (GB) 2012-01-24 US disclosed
EP-2091949-B1 INDOLE DERIVATIVES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LTD (GB) 2011-05-18 EP disclosed
EP-2091949-B1 INDOLE DERIVATIVES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LTD (GB) 2011-05-18 EP disclosed
EP-2206710-A1 Indole derivatives as S1P1 receptor agonists Glaxo Group Limited (GB) 2010-07-14 EP disclosed
EP-2206710-A1 Indole derivatives as S1P1 receptor agonists Glaxo Group Limited (GB) 2010-07-14 EP disclosed
US-20100113796-A1 INDOLE DERIVATIVES AS S1P1 RECEPTOR GLAXO GROUP LIMITED 2010-05-06 US disclosed
US-20100113796-A1 INDOLE DERIVATIVES AS S1P1 RECEPTOR GLAXO GROUP LIMITED 2010-05-06 US disclosed
US-20100113796-A1 INDOLE DERIVATIVES AS S1P1 RECEPTOR GLAXO GROUP LIMITED 2010-05-06 US disclosed
CN-101611033-A Indole derivatives as S1P1 receptor agonists GLAXO GROUP LTD (GB) 2009-12-23 CN disclosed
EP-2091949-A1 INDOLE DERIVATIVES AS S1P1 RECEPTOR AGONISTS Glaxo Group Limited (GB) 2009-08-26 EP disclosed
WO-2008074821-A1 INDOLE DERIVATIVES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2008-06-26 WO disclosed
WO-2008074821-A1 INDOLE DERIVATIVES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2008-06-26 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 (1 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-20100113796-A1 INDOLE DERIVATIVES AS S1P1 RECEPTOR S1PR1, S1PR3, S1PR2 TRPV1 234/4885CNR2 15/4885ALDH1A1 1154/4885

“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.