SCHEMBL6889326

SCHEMBL6889326

CN1CCN(CCNC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)N(CCO)CCc2ccccc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
SIGMAR1 Q99720 3/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
TACR2 P21452 6/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
FAAH O00519 1/20 0.42
ACHE P22303 1/20 0.42
NPC1 O15118 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
AVPR1B P47901 1/20 0.42

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
SCHEMBL27538243 0.93 TACR2 (0.45) ALDH1A1SIGMAR1ADRA1DADRA1ATACR2
SCHEMBL6891302 0.93 TACR2 (0.45) ALDH1A1SIGMAR1ADRA1DADRA1ATACR2
SCHEMBL6897567 0.91 TACR2 (0.53) TACR2
SCHEMBL6895021 0.90 ALDH1A1 (0.42) ALDH1A1SIGMAR1ADRA1DADRA1ATACR2
SCHEMBL27562662 0.86 P2RX7 (0.45) ALDH1A1SIGMAR1SMN1; SMN2L3MBTL1NPC1
SCHEMBL6898836 0.86 P2RX7 (0.45) ALDH1A1SIGMAR1SMN1; SMN2L3MBTL1NPC1
SCHEMBL6898016 0.86 ALDH1A1 (0.47) ALDH1A1SIGMAR1SMN1; SMN2NPC1HTT
SCHEMBL6897967 0.85 ALDH1A1 (0.51) ALDH1A1SIGMAR1TACR2AVPR1B
SCHEMBL6895757 0.85 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL27541762 0.85 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2NPC1RAB9A

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 ALDH1A1 1309/4885SIGMAR1 26/4885ADRA1D 583/4885

“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.