SCHEMBL4568667

SCHEMBL4568667

CCc1ccc(Cl)cc1OCc1ncccc1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 1/20 0.39
SMN1; SMN2 Q16637 6/20 0.39
NPC1 O15118 5/20 0.39
RAB9A P51151 5/20 0.39
MAPT P10636 4/20 0.39
LMNA P02545 3/20 0.39
TP53 P04637 2/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
PKM P14618 1/20 0.38
CYP2C19 P33261 1/20 0.38
HPGD P15428 3/20 0.37
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
TSHR P16473 2/20 0.36

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
SCHEMBL10042170 0.84 MAPK14 (0.41) SYKMAPK14
SCHEMBL396650 0.81 S1PR4 (0.41) S1PR4SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL30745406 0.81 S1PR4 (0.59) S1PR4SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL397285 0.79 S1PR4 (0.36) S1PR4SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL30745344 0.78 MRGPRX4 (0.45) S1PR4SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL7062239 0.73
SCHEMBL31420239 0.73
SCHEMBL23251387 0.71 TSHR (0.47) SMN1; SMN2MAPTTP53KMT2AMEN1
SCHEMBL398806 0.71 NPC1 (0.31) SMN1; SMN2NPC1RAB9AMAPTLMNA
SCHEMBL17150071 0.69 SLC6A4 (0.43) S1PR4MAPTL3MBTL1HTR2ASLC6A4

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 4 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-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 203/4885SMN1; SMN2 4203/4885NPC1 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.