SCHEMBL2431310

SCHEMBL2431310

CCOC(=O)c1ccc(C#N)c(NC2CCC(N3CCCCC3)CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 2/20 0.52
▸ BRD4 O60885 1/20 0.44
▸ ALDH1A1 P00352 6/20 0.43
▸ POLB P06746 1/20 0.43
▸ MAPK1 P28482 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ SLC6A4 P31645 1/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.42
▸ MAPT P10636 2/20 0.41
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ KDM2B Q8NHM5 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ L3MBTL1 Q9Y468 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
SCHEMBL2431301 1.00 ALOX15 (0.52) ALOX15BRD4ALDH1A1POLBMAPK1
SCHEMBL2428969 0.86 ALOX15 (0.64) ALOX15BRD4ALDH1A1POLBMAPK1
SCHEMBL2434057 0.83 ALOX15 (0.55) ALOX15BRD4ALDH1A1KDM4EMAPT
SCHEMBL2434054 0.83 ALOX15 (0.55) ALOX15BRD4ALDH1A1KDM4EMAPT
SCHEMBL2426985 0.78 ALOX15 (0.47) ALOX15BRD4MAPT
SCHEMBL2426983 0.78 ALOX15 (0.47) ALOX15BRD4MAPT
SCHEMBL2432136 0.73 ALOX15 (0.57) ALOX15ALDH1A1KDM4EMAPTNPC1
SCHEMBL19245017 0.71 ALOX15 (0.67) ALOX15BRD4ALDH1A1POLBMAPK1
SCHEMBL15320862 0.71 ALOX15 (0.74) ALOX15BRD4ALDH1A1POLBMAPK1
SCHEMBL21310900 0.71 ALOX15 (0.82) ALOX15BRD4ALDH1A1POLBMAPK1

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 1532/4885BRD4 4218/4885ALDH1A1 323/4885

“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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