SCHEMBL436325

SCHEMBL436325

[CH2]CCCCc1ncccc1Br

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ALDH1A1 P00352 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KDM4E B2RXH2 1/20 0.32
AXL P30530 1/20 0.31
CYP2A6 P11509 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
CXCR4 P61073 1/20 0.30
HRH1 P35367 1/20 0.30

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
SCHEMBL11100271 0.81 HRH1 (0.49) NPC1RAB9ACYP2A6CXCR4HRH1
SCHEMBL11319871 0.81 NPC1 (0.34) NPC1RAB9AALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL4625922 0.81 TDP1 (0.49) NPC1RAB9AL3MBTL1SMN1; SMN2LMNA
SCHEMBL28676139 0.80 TDP1 (0.47) NPC1RAB9AL3MBTL1SMN1; SMN2LMNA
SCHEMBL28667999 0.80 TDP1 (0.47) NPC1RAB9AL3MBTL1SMN1; SMN2LMNA
SCHEMBL9143648 0.80 TDP1 (0.47) NPC1RAB9AL3MBTL1SMN1; SMN2LMNA
SCHEMBL29467768 0.80 TDP1 (0.47) NPC1RAB9AL3MBTL1SMN1; SMN2LMNA
SCHEMBL1469935 0.80 TDP1 (0.47) NPC1RAB9AL3MBTL1SMN1; SMN2LMNA
Bromide SCHEMBL11605798 0.80 HRH1 (0.47) NPC1RAB9ACYP2A6CXCR4HRH1
SCHEMBL28680286 0.80 TDP1 (0.47) NPC1RAB9AL3MBTL1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101761-B2 (E)-N-{3-[1-(8-fluoro-11H-10-OXA-1-AZA-dibenzo [A,D] cyclohepten-5ylidene)-propyl]-phenyl}-methanesulfonamide as glucocorticoid receptor modulator for the treatment of rheumatoid arthritis ELI LILLY AND COMPANY (US) 2012-01-24 US disclosed
EP-2231676-B1 (E)-N-{3-[1-(8-FLUORO-11H-10-OXA-1-AZA-DIBENZO-[A,D]-CYCLOHEPTEN-5-YLIDENE)-PROPYL]-PHENYL }-METHYNSULFON AMIDE AS GLUCOCORTICOID RECEPTOR MODULATOR FOR THE TREATMENT OF RHEUMATOID ARTHRITIS LILLY CO ELI (US) 2011-08-31 EP disclosed
US-20100280062-A1 (E)-N--METHANESULFONAMIDE AS GLUCOCORTICOID RECEPTOR MODULATOR FOR THE TREATMENT OF RHEUMATOID ARTHRITIS ELI LILLY AND COMPANY (US) 2010-11-04 US disclosed
EP-2231676-A1 (E)-N-{3-[1-(8-FLUORO-11H-10-OXA-1-AZA-DIBENZO[A,D]-CYCL0HEPTEN-5YLIDENE)-PROPYL]-PHENYL }-METHYNSULFON AMIDE AS GLUCOCORTICOID RECEPTOR MODULATOR FOR THE TREATMENT OF RHEUMATOID Eli Lilly & Company (US) 2010-09-29 EP disclosed
WO-2009089312-A1 (E)-N-{3- [1-(8-FLUORO-11H-10-OXA-1-AZA-DIBENZO [A,D] CYCL0HEPTEN-5YLIDENE)-PROPYL]-PHENYL }-METHYNSULFON AMIDE AS GLUCOCORTICOID RECEPTOR MODULATOR FOR THE TREATMENT OF RHEUMATOID ELI LILLY AND COMPANY (US) 2009-07-16 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-20100280062-A1 (E)-N--METHANESULFONAMIDE AS GLUCOCORTICOID RECEPTOR MODULATOR FOR THE TREATMENT OF RHEUMATOID ARTHRITIS NR3C1, NR3C2, MC2R NPC1 1328/4885RAB9A 872/4885ALDH1A1 4042/4885

“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.