SCHEMBL6895072

SCHEMBL6895072

C(CSSCCNCCC12CC3CC(CC(C3)C1)C2)NCCC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.44
GRIN2D O15399 4/20 0.43
GRIN3B O60391 4/20 0.43
GRIN1 Q05586 4/20 0.43
GRIN2A Q12879 4/20 0.43
GRIN2B Q13224 4/20 0.43
GRIN2C Q14957 4/20 0.43
GRIN3A Q8TCU5 4/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
P2RX7 Q99572 1/20 0.35

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
Hydrochloric Acid SCHEMBL1677979 0.85 GRIN2D (0.52) EPHX2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6899422 0.85 MEN1 (0.44) EPHX2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL6897880 0.78 EPHX2 (0.50) EPHX2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1677910 0.78 MEN1 (0.61) EPHX2GRIN2DGRIN3BGRIN1GRIN2A
Hydrochloric Acid SCHEMBL27539754 0.76 KMT2A (0.59) EPHX2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4913119 0.76 MEN1 (0.46) EPHX2GRIN2DGRIN3BGRIN1GRIN2A
Hydrochloric Acid SCHEMBL6898360 0.76 EPHX2 (0.49) EPHX2GRIN2DGRIN3BGRIN1GRIN2A
Hydrochloric Acid SCHEMBL6896888 0.76 EPHX2 (0.44) EPHX2GRIN2DGRIN3BGRIN1GRIN2A
Hydrochloric Acid SCHEMBL1677949 0.76 EPHX2 (0.41) EPHX2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL27567153 0.75 EPHX2 (0.47) EPHX2GRIN2DGRIN3BGRIN1GRIN2A

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
US-6730784-B2 AS THERAPEUTIC AGENTS FOR AUTOIMMUNE DISEASES SUCH AS RHEUMATOID ARTHRITIS SANTEN PHARMACEUTICAL CO., LTD. (JP) 2004-05-04 US disclosed
US-20020198376-A1 Novel urea derivatives SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-12-26 US disclosed
US-6492370-B1 Urea derivatives and pharmaceutical compositions thereof SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-12-10 US disclosed
EP-1072591-A1 NOVEL UREA DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 2001-01-31 EP 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-20020198376-A1 Novel urea derivatives TNF, CTH, CFH EPHX2 523/4885GRIN2D 2723/4885GRIN3B 2183/4885

“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.