SCHEMBL397285

SCHEMBL397285

CCC#Cc1ccc(Cl)cc1OCc1ncccc1Br

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 1/20 0.36
PTGDR2 Q9Y5Y4 3/20 0.35
NPC1 O15118 8/20 0.34
RAB9A P51151 8/20 0.34
SMN1; SMN2 Q16637 7/20 0.34
MAPT P10636 5/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 3/20 0.34
HPGD P15428 3/20 0.34
ALDH1A1 P00352 2/20 0.34
HTT P42858 2/20 0.34
TP53 P04637 2/20 0.34
TSHR P16473 2/20 0.33
SLC6A4 P31645 2/20 0.31
SYK P43405 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL10072773 0.87 SYK (0.36) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL393233 0.86 PTGDR2 (0.34) PTGDR2NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL4568541 0.86 PTGDR2 (0.35) S1PR4PTGDR2NPC1RAB9ASMN1; SMN2
SCHEMBL4568667 0.79 S1PR4 (0.39) S1PR4PTGDR2NPC1RAB9ASMN1; SMN2
SCHEMBL396650 0.76 S1PR4 (0.41) S1PR4NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL30745406 0.76 S1PR4 (0.59) S1PR4NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL30745344 0.74 MRGPRX4 (0.45) S1PR4NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL10013572 0.73 GRM5 (0.36) PTGDR2NPC1RAB9AMAPTMEN1
SCHEMBL12451178 0.72 PTGDR2 (0.34) PTGDR2NPC1RAB9AMEN1KMT2A
SCHEMBL398807 0.66 NPC1 (0.31) NPC1RAB9ASMN1; SMN2MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2043646-B1 (E)-N-{3-(8-Chloro-11H-10-oxa-1-aza- dibenzo[a,d]cyclohepten-5-ylidene)-propyl]-phenyl} -methanesulfonamide as a GLUCOCORTICOID RECEPTOR MODULATOR AND METHODS OF USE LILLY CO ELI (US) 2012-05-16 EP disclosed
US-8101760-B2 Glucocorticoid receptor modulator and methods of use ELI LILLY AND COMPANY (US) 2012-01-24 US disclosed
US-8101760-B2 Glucocorticoid receptor modulator and methods of use ELI LILLY AND COMPANY (US) 2012-01-24 US disclosed
US-20100069425-A1 GLUCOCORTICOID RECEPTOR MODULATOR AND METHODS OF USE ELI LILLY AND COMPANY (US) 2010-03-18 US disclosed
US-20100069425-A1 GLUCOCORTICOID RECEPTOR MODULATOR AND METHODS OF USE ELI LILLY AND COMPANY (US) 2010-03-18 US disclosed
WO-2008008882-A2 GLUCOCORTICOID RECEPTOR MODULATOR AND METHODS OF USE ELI LILLY AND COMPANY (US) 2008-01-17 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-20100069425-A1 GLUCOCORTICOID RECEPTOR MODULATOR AND METHODS OF USE NR3C1, NR3C2, MC2R S1PR4 203/4885PTGDR2 162/4885NPC1 409/4885

“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.