SCHEMBL9290267

SCHEMBL9290267

COc1c(N)cc(C(C)(C)C)cc1C(=O)NC1CC1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 9/20 0.45
CNR2 P34972 9/20 0.45
HTR4 Q13639 4/20 0.44
ALDH1A1 P00352 1/20 0.43
MAPK14 Q16539 1/20 0.42
SIGMAR1 Q99720 3/20 0.41
SSTR5 P35346 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
SCHEMBL689596 0.87 CNR1 (0.45) CNR1CNR2ALDH1A1MAPK14SIGMAR1
SCHEMBL12727200 0.82 CNR1 (0.43) CNR1CNR2ALDH1A1MAPK14SIGMAR1
SCHEMBL5118526 0.82 MAPT (0.38) ALDH1A1MAPK14
SCHEMBL1599294 0.80 ALDH1A1 (0.48) CNR1CNR2ALDH1A1MAPK14
SCHEMBL16158049 0.79 CA12 (0.44) ALDH1A1
SCHEMBL1303731 0.79 CFTR (0.49) ALDH1A1
SCHEMBL1404705 0.77 RARG (0.38) ALDH1A1
SCHEMBL1600588 0.77 HSD17B10 (0.44) ALDH1A1
SCHEMBL1404537 0.76 HTT (0.43) HTR4ALDH1A1MAPK14
SCHEMBL688542 0.73 RARG (0.36) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1670787-B1 CYTOKINE INHIBITORS ITHERX PHARMA INC (US) 2012-05-30 EP disclosed
US-7919617-B2 Cytokine inhibitors iTherX Pharmaceuticals Inc. (US) 2011-04-05 US disclosed
US-7919617-B2 Cytokine inhibitors iTherX Pharmaceuticals Inc. (US) 2011-04-05 US disclosed
US-7897599-B2 Cytokine inhibitors iTherX Pharmaceuticals Inc. (US) 2011-03-01 US disclosed
US-7897599-B2 Cytokine inhibitors iTherX Pharmaceuticals Inc. (US) 2011-03-01 US disclosed
US-20100273797-A1 ALPHA-KETOAMIDES AND DERIVATIVES THEREOF ITHERX PHARMACEUTICALS, INC. 2010-10-28 US disclosed
US-20100273797-A1 ALPHA-KETOAMIDES AND DERIVATIVES THEREOF ITHERX PHARMACEUTICALS, INC. 2010-10-28 US disclosed
US-20100093734-A1 CYTOKINE INHIBITORS ITHERX PHARMACEUTICALS, INC. (US) 2010-04-15 US disclosed
US-20100093734-A1 CYTOKINE INHIBITORS ITHERX PHARMACEUTICALS, INC. (US) 2010-04-15 US disclosed
US-20100093735-A1 CYTOKINE INHIBITORS ITHERX PHARMACEUTICALS, INC. (US) 2010-04-15 US disclosed
US-20100093735-A1 CYTOKINE INHIBITORS ITHERX PHARMACEUTICALS, INC. (US) 2010-04-15 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 (3 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-20100093734-A1 CYTOKINE INHIBITORS TNF, IL1RN, IL1A CNR1 2862/4885CNR2 2697/4885HTR4 4539/4885
US-20100273797-A1 ALPHA-KETOAMIDES AND DERIVATIVES THEREOF TNF, IL1A, IL1B CNR1 375/4885CNR2 221/4885HTR4 4148/4885
US-20100093735-A1 CYTOKINE INHIBITORS TNF, IL1RN, IL1A CNR1 2862/4885CNR2 2697/4885HTR4 4539/4885

“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.