SCHEMBL2434057

SCHEMBL2434057

CCOC(=O)c1ccc(C#N)c(NC2CCC(N)CC2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 2/20 0.55
▸ PTGER4 P35408 2/20 0.45
▸ MAPKAPK2 P49137 2/20 0.44
▸ BRD4 O60885 1/20 0.42
▸ KDM4E B2RXH2 3/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ RAB9A P51151 1/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA7 P43166 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ CA14 Q9ULX7 1/20 0.39
▸ SMYD3 Q9H7B4 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ GAA P10253 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MAPT P10636 3/20 0.38
▸ DYRK1A Q13627 1/20 0.38
▸ LMNA P02545 1/20 0.38

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
SCHEMBL2434054 1.00 ALOX15 (0.55) ALOX15PTGER4MAPKAPK2BRD4KDM4E
SCHEMBL2428969 0.90 ALOX15 (0.64) ALOX15PTGER4BRD4RAB9ACA12
SCHEMBL2426985 0.83 ALOX15 (0.47) ALOX15PTGER4BRD4MAPT
SCHEMBL2431301 0.83 ALOX15 (0.52) ALOX15BRD4KDM4ERAB9AALDH1A1
SCHEMBL2426983 0.83 ALOX15 (0.47) ALOX15PTGER4BRD4MAPT
SCHEMBL2431310 0.83 ALOX15 (0.52) ALOX15BRD4KDM4ERAB9AALDH1A1
SCHEMBL19245334 0.82 ALOX15 (0.63) ALOX15PTGER4MAPKAPK2BRD4RAB9A
SCHEMBL15320258 0.81 ALOX15 (0.80) ALOX15PTGER4MAPKAPK2BRD4RAB9A
SCHEMBL15319752 0.76 ALOX15 (0.88) ALOX15PTGER4BRD4KDM4EHSD17B10
SCHEMBL19245017 0.76 ALOX15 (0.67) ALOX15PTGER4BRD4KDM4ERAB9A

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-8012956-B2 Tropane compounds EXELIXIS, INC. (US) 2011-09-06 — — US disclosed
EP-2074120-B1 TROPANE COMPOUNDS EXELIXIS INC (US) 2010-03-03 — — EP disclosed
EP-2074120-A1 TROPANE COMPOUNDS Exelixis, Inc. (US) 2009-07-01 — — EP disclosed
US-20090163471-A1 Tropane compounds EXELIXIS, INC. 2009-06-25 — — US disclosed
WO-2009055077-A1 TROPANE COMPOUNDS EXELIXIS, INC. (US) 2009-04-30 — — 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-20090163471-A1 Tropane compounds ADRA1B, ADRA2B, ADRB2 ALOX15 1532/4885PTGER4 492/4885MAPKAPK2 3769/4885

“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.

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