SCHEMBL6898811

SCHEMBL6898811

CC(C)CCN[C@H](CSc1ccccc1)CC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.48
MTNR1B P49286 4/20 0.48
PLA2G10 O15496 3/20 0.46
PLA2G2A P14555 2/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
FFAR1 O14842 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.38
PKM P14618 1/20 0.38
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37

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
SCHEMBL6898805 1.00 MTNR1A (0.48) MTNR1AMTNR1BPLA2G10PLA2G2AMAOA
SCHEMBL27538290 0.85 MTNR1A (0.42) MTNR1AMTNR1BPLA2G10NPC1RAB9A
Hydrochloric Acid SCHEMBL6899201 0.83 MAOA (0.44) MTNR1AMTNR1BPLA2G10MAOAMAOB
Hydrochloric Acid SCHEMBL6899197 0.83 MAOA (0.44) MTNR1AMTNR1BPLA2G10MAOAMAOB
SCHEMBL3129444 0.75 PLA2G10 (0.49) MTNR1AMTNR1BPLA2G10PLA2G2AFFAR1
Hydrochloric Acid SCHEMBL6898788 0.74 MTNR1A (0.44) MTNR1AMTNR1BMAOAMAOBNPC1
Hydrochloric Acid SCHEMBL6898792 0.74 MTNR1A (0.44) MTNR1AMTNR1BMAOAMAOBNPC1
SCHEMBL3136481 0.74 PLA2G10 (0.48) MTNR1AMTNR1BPLA2G10PLA2G2AFFAR1
SCHEMBL9645538 0.74 PLA2G10 (0.59) MTNR1AMTNR1BPLA2G10PLA2G2AFFAR1
SCHEMBL22428825 0.72 MAOA (0.45) MTNR1AMTNR1BMAOAMAOBNPC1

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 MTNR1A 1511/4885MTNR1B 1529/4885PLA2G10 4745/4885

“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.