SCHEMBL1014832

SCHEMBL1014832

COCCN1CCC(c2cc(OC(C)C)c(N)cc2C)CC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 12/20 0.48
INSR P06213 5/20 0.48
MAP3K12 Q12852 2/20 0.39
TLR9 Q9NR96 2/20 0.37
TLR8 Q9NR97 2/20 0.37
TLR7 Q9NYK1 2/20 0.37
KCNH2 Q12809 1/20 0.36
DRD2 P14416 1/20 0.36
OPRL1 P41146 2/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
TRPC6 Q9Y210 1/20 0.35

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
SCHEMBL19175225 0.88 DRD2 (0.44) ALKINSRMAP3K12DRD2
SCHEMBL12705391 0.88 ALK (0.39) ALKINSR
SCHEMBL12705526 0.87 ALK (0.47) ALKINSRKCNH2DRD2TRPC6
SCHEMBL12705369 0.85 ALK (0.45) ALKINSRKCNH2TRPC6
SCHEMBL17304109 0.85 MAP3K12 (0.38) ALKINSRMAP3K12TLR9TLR8
SCHEMBL20567095 0.85 ALK (0.39) ALKINSRKCNH2TRPC6
SCHEMBL1014752 0.84 ALK (0.43) ALKINSRKCNH2TRPC6
SCHEMBL12705410 0.83 ALK (0.48) ALKINSRTLR9TLR8TLR7
SCHEMBL12705469 0.83 ALK (0.49) ALKINSRKCNH2DRD2TRPC6
SCHEMBL17304235 0.81 ALK (0.34) ALKINSRKCNH2TRPC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2271630-B1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2016-03-23 EP disclosed
EP-2271630-B1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS NOVARTIS AG (CH) 2016-03-23 EP disclosed
CN-102131788-B Compounds and compositions as protein kinase inhibitors IRM LLC 2014-03-19 CN disclosed
US-8592432-B2 Compounds and compositions as protein kinase inhibitors NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2013-11-26 US disclosed
EP-2537830-A1 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2012-12-26 EP disclosed
CN-102131788-A Compounds and compositions as protein kinase inhibitors IRM LLC 2011-07-20 CN disclosed
US-20110135668-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2011-06-09 US disclosed
US-20110135668-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2011-06-09 US disclosed
US-20110135668-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2011-06-09 US disclosed
EP-2311807-A1 Compounds and composition as protein kinase inhibitors IRM LLC (BM) 2011-04-20 EP disclosed
EP-2271630-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2011-01-12 EP disclosed
WO-2009126515-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-10-15 WO disclosed
WO-2009126515-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-10-15 WO disclosed
WO-2008073687-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2008-06-19 WO 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-20110135668-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS ROS1, INSR, IGF1R ALK 6/4885INSR 2/4885MAP3K12 173/4885

“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.