SCHEMBL6890586

SCHEMBL6890586

CN(C)CC(CO)NCCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.47
OPRK1 P41145 1/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TAAR1 Q96RJ0 3/20 0.43
ATM Q13315 1/20 0.43
ALDH1A1 P00352 3/20 0.41
TSHR P16473 2/20 0.41
LMNA P02545 3/20 0.39
GAA P10253 1/20 0.39
HTR2A P28223 1/20 0.39
HRH1 P35367 1/20 0.39
KDM1A O60341 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
CYP2C8 P10632 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL6890587 1.00 SIGMAR1 (0.47) SIGMAR1OPRK1NPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL6738145 0.84 SIGMAR1 (0.56) SIGMAR1TAAR1ATMMEN1KMT2A
Hydrochloric Acid SCHEMBL6891188 0.83 NPC1 (0.52) SIGMAR1OPRK1NPC1RAB9ASMN1; SMN2
SCHEMBL27779884 0.78 SIGMAR1 (0.47) SIGMAR1OPRK1NPC1RAB9ASMN1; SMN2
SCHEMBL4624995 0.74 SIGMAR1 (0.70) SIGMAR1OPRK1TAAR1ATMMEN1
SCHEMBL29059366 0.74 SIGMAR1 (0.44) SIGMAR1OPRK1NPC1RAB9ASMN1; SMN2
SCHEMBL19334491 0.73 SIGMAR1 (0.58) SIGMAR1OPRK1NPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL6896758 0.73 LMNA (0.48) SIGMAR1OPRK1SMN1; SMN2TSHRLMNA
Hydrochloric Acid SCHEMBL6896755 0.73 LMNA (0.48) SIGMAR1OPRK1SMN1; SMN2TSHRLMNA
SCHEMBL18158109 0.72 TAAR1 (0.49) SIGMAR1TAAR1HTR2AHRH1SLC6A2

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 SIGMAR1 26/4885OPRK1 69/4885NPC1 3264/4885

“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.