SCHEMBL396650

SCHEMBL396650

Clc1ccc(I)c(OCc2ncccc2Br)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 2/20 0.41
NPC1 O15118 9/20 0.39
RAB9A P51151 9/20 0.39
SMN1; SMN2 Q16637 8/20 0.39
MAPT P10636 5/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
HPGD P15428 4/20 0.38
LMNA P02545 3/20 0.38
ALDH1A1 P00352 3/20 0.38
HTT P42858 2/20 0.38
TP53 P04637 2/20 0.38
TSHR P16473 2/20 0.37
SLC6A4 P31645 2/20 0.35
SYK P43405 1/20 0.34
NR4A2 P43354 1/20 0.34
KDM4E B2RXH2 1/20 0.32
STAT3 P40763 1/20 0.32

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
SCHEMBL10013569 0.83 NPC1 (0.37) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL30745406 0.83 S1PR4 (0.59) S1PR4NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL4568667 0.81 S1PR4 (0.39) S1PR4NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL30745344 0.81 MRGPRX4 (0.45) S1PR4NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL397285 0.76 S1PR4 (0.36) S1PR4NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL22135524 0.68 ALDH1A1 (0.44) S1PR4NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL4560770 0.67 TSHR (0.47) SMN1; SMN2MAPTMEN1KMT2ATDP1
SCHEMBL15845985 0.67 NPC1 (0.40) NPC1RAB9ASMN1; SMN2MAPTL3MBTL1
SCHEMBL30740779 0.67 S1PR4 (0.53) S1PR4NPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL31379484 0.66 GRM5 (0.45) S1PR4NPC1RAB9AMAPTL3MBTL1

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
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
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-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
US-20100069425-A1 GLUCOCORTICOID RECEPTOR MODULATOR AND METHODS OF USE ELI LILLY AND COMPANY (US) 2010-03-18 US disclosed
CN-101489556-A Glucocorticoid receptor modulators and methods of use LILLY CO ELI (US) 2009-07-22 CN disclosed
EP-2043646-A2 GLUCOCORTICOID RECEPTOR MODULATOR AND METHODS OF USE ELI LILLY AND COMPANY (US) 2009-04-08 EP disclosed
WO-2008008882-A2 GLUCOCORTICOID RECEPTOR MODULATOR AND METHODS OF USE ELI LILLY AND COMPANY (US) 2008-01-17 WO 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 203/4885NPC1 409/4885RAB9A 3093/4885

“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.