SCHEMBL6895000

SCHEMBL6895000

C1CCC(CCNCCSSCCNCCC2CCCCC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.39
EPHX1 P07099 2/20 0.39
BCHE P06276 1/20 0.39
CYP1A2 P05177 1/20 0.37
CHRM2 P08172 3/20 0.35
CHRM1 P11229 3/20 0.35
CHRM3 P20309 3/20 0.35
ADH1B P00325 1/20 0.34
ADH1C P00326 1/20 0.34
ADH1A P07327 1/20 0.34
ADH4 P08319 1/20 0.34
ADH7 P40394 1/20 0.34
KDM1A O60341 2/20 0.34
MAOA P21397 2/20 0.34
MAOB P27338 2/20 0.34
HPGD P15428 2/20 0.33
MAPT P10636 1/20 0.32
KMT2A Q03164 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
SCHEMBL716430 0.86 SIGMAR1 (0.48) SIGMAR1EPHX1BCHECYP1A2CHRM2
SCHEMBL6896508 0.83 SIGMAR1 (0.37) SIGMAR1EPHX1BCHECYP1A2CHRM2
SCHEMBL20440701 0.83 SIGMAR1 (0.37) SIGMAR1EPHX1BCHECYP1A2CHRM2
SCHEMBL629801 0.83 SIGMAR1 (0.41) SIGMAR1EPHX1BCHECYP1A2CHRM2
Hydrochloric Acid SCHEMBL6898804 0.82 SIGMAR1 (0.40) SIGMAR1EPHX1BCHECYP1A2CHRM2
SCHEMBL6896819 0.81 SIGMAR1 (0.38) SIGMAR1EPHX1BCHECYP1A2CHRM2
SCHEMBL3681785 0.76 EPHX1 (0.44) SIGMAR1EPHX1BCHECYP1A2CHRM2
SCHEMBL4660951 0.76 CYP1A2 (0.54) SIGMAR1EPHX1BCHECYP1A2CHRM2
SCHEMBL8944543 0.76 CYP1A2 (0.54) SIGMAR1EPHX1BCHECYP1A2CHRM2
SCHEMBL4470765 0.76 SIGMAR1 (0.41) SIGMAR1EPHX1BCHECYP1A2CHRM2

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 SIGMAR1 26/4885EPHX1 984/4885BCHE 110/4885

“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.