SCHEMBL4874028

SCHEMBL4874028

COC(=O)C1(O)CCN(c2ncccc2Cl)CC1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 5/20 0.53
TRPA1 O75762 4/20 0.50
RBP4 P02753 1/20 0.50
TRPV1 Q8NER1 3/20 0.48
KCNH2 Q12809 1/20 0.48
TRPM8 Q7Z2W7 1/20 0.48

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
SCHEMBL5751318 0.89 CHRM4 (0.53) MALT1RBP4
SCHEMBL3436768 0.87 TRPV1 (0.48) MALT1TRPV1
SCHEMBL27684336 0.87 MALT1 (0.47) MALT1RBP4TRPV1
SCHEMBL10278269 0.86 GRIN2D (0.42) MALT1RBP4
SCHEMBL4868004 0.85 MALT1 (0.53) MALT1TRPA1TRPV1KCNH2TRPM8
SCHEMBL10278274 0.83 TRPV1 (0.45) MALT1TRPV1
SCHEMBL3435616 0.82 CYP1A2 (0.59)
SCHEMBL10276904 0.82 L3MBTL1 (0.41) MALT1
SCHEMBL3954751 0.79 GRIN2D (0.40) MALT1
SCHEMBL29464936 0.78 HSD17B10 (0.64)

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080153809-A1 NOVEL AMIDES USEFUL FOR TREATING PAIN ABBOTT LABORATORIES (US) 2008-06-26 US disclosed
US-7348343-B2 Amides useful for treating pain ABBOTT LABORATORIES INC. (US) 2008-03-25 US disclosed
US-20070010557-A1 Novel amides useful for treating pain ABBVIE INC. 2007-01-11 US disclosed
US-7129235-B2 Amides useful for treating pain ABBOTT LABORATORIES (US) 2006-10-31 US disclosed
EP-1646621-A2 NOVEL AZAHETEROCYCLIC AMIDES USEFUL FOR TREATING PAIN Abbott Laboratories (US) 2006-04-19 EP disclosed
US-20050080095-A1 administering a therapeuitcally effective amount of 3'-(trifluoromethyl)-N-{4-[(trifluoromethyl)sulfonyl]phenyl}-3,6-dihydro-2H-1,2'-bipyridine-4-carboxamide; antagonists of vanilloid receptor subtype I ABBVIE INC. 2005-04-14 US disclosed
WO-2005007642-A2 NOVEL AZAHETEROCYCLIC AMIDES USEFUL FOR TREATING PAIN ABBOTT LABORATORIES (US) 2005-01-27 WO disclosed
US-20050009841-A1 Novel amides useful for treating pain ABBOTT LABORATORIES 2005-01-13 US 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 (4 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-20050009841-A1 Novel amides useful for treating pain OPRL1, OPRK1, FAAH2 MALT1 4880/4885TRPA1 10/4885RBP4 3699/4885
US-20050080095-A1 administering a therapeuitcally effective amount of 3'-(trifluoromethyl)-N-{4-[(trifluoromethyl)sulfonyl]phenyl}-3,6-dihydro-2H-1,2'-bipyridine-4-carboxamide; antagonists of vanilloid receptor subtype I TRPV1, OPRL1, TRPV6 MALT1 1308/4885TRPA1 4/4885RBP4 1642/4885
US-20070010557-A1 Novel amides useful for treating pain OPRL1, PDE6B, PDE6G MALT1 3594/4885TRPA1 12/4885RBP4 2611/4885
US-20080153809-A1 NOVEL AMIDES USEFUL FOR TREATING PAIN OPRL1, OPRK1, OPRD1 MALT1 4784/4885TRPA1 47/4885RBP4 2652/4885

“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.