SCHEMBL6897551

SCHEMBL6897551

OCCNCCc1ccc(-c2ccccc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.69
CNR2 P34972 1/20 0.53
SIGMAR1 Q99720 6/20 0.52
SLC2A1 P11166 1/20 0.49
FFAR1 O14842 1/20 0.48
MMP12 P39900 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
KCNH2 Q12809 2/20 0.46
ADRB2 P07550 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
CHRM1 P11229 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
DRD1 P21728 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
ADRA1A P35348 1/20 0.46
PTGS2 P35354 1/20 0.46
HRH1 P35367 1/20 0.46

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
SCHEMBL357594 0.88 SIGMAR1 (0.65) SIGMAR1GAAMAPTKCNH2
Hydrochloric Acid SCHEMBL6895167 0.86 SIGMAR1 (0.63) SMN1; SMN2SIGMAR1GAAMAPTKCNH2
Biphenyl SCHEMBL8131468 0.85 SMN1; SMN2 (0.68) SMN1; SMN2CNR2SIGMAR1GAA
SCHEMBL12298701 0.82 SMN1; SMN2 (0.89) SMN1; SMN2GAAMAPTHRH3CA1
Diethanolamine SCHEMBL5343789 0.81 GAA (0.74) SMN1; SMN2SIGMAR1GAAMAPTCA12
SCHEMBL8034862 0.81 SIGMAR1 (0.75) SIGMAR1KCNH2ADRB2ADORA3CHRM1
Phenylethyl Alcohol SCHEMBL27638060 0.79 TDP1 (0.73) SMN1; SMN2SIGMAR1GAAMAPT
Hydrochloric Acid SCHEMBL7824066 0.79 SIGMAR1 (0.58) SMN1; SMN2SIGMAR1SLC2A1GAAMAPT
SCHEMBL22251662 0.79 TDP1 (0.71) SMN1; SMN2CNR2FFAR1MMP12GAA
SCHEMBL1938644 0.79 TDP1 (0.71) SMN1; SMN2CNR2FFAR1MMP12GAA

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-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
CN-1299344-A Novel urea derivatives SANTEN PHARCEUMATICAL CO LTD (JP) 2001-06-13 CN 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 SMN1; SMN2 4533/4885CNR2 383/4885SIGMAR1 26/4885

“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.