SCHEMBL2432136

SCHEMBL2432136

N#Cc1ccc(C(=O)OCc2ccccc2)cc1NC1CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 2/20 0.57
▸ ALDH1A1 P00352 3/20 0.45
▸ RAB9A P51151 3/20 0.45
▸ LMNA P02545 2/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ MAPT P10636 1/20 0.45
▸ EPHX1 P07099 1/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ SLC6A2 P23975 1/20 0.43
▸ SLC6A3 Q01959 1/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ PDE5A O76074 1/20 0.42
▸ PDE1A P54750 1/20 0.42
▸ PDE1B Q01064 1/20 0.42
▸ PDE1C Q14123 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42

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
SCHEMBL2427157 0.84 KCNA3 (0.43) ALOX15ALDH1A1KMT2APRKCQ
SCHEMBL2427152 0.84 KCNA3 (0.43) ALOX15ALDH1A1KMT2APRKCQ
SCHEMBL2428969 0.83 ALOX15 (0.64) ALOX15ALDH1A1RAB9ANPC1MAPT
SCHEMBL2425934 0.82 ALOX15 (0.60) ALOX15ALDH1A1RAB9ALMNANPC1
SCHEMBL3142326 0.80 HCAR3 (0.54) ALOX15ALDH1A1RAB9ALMNANPC1
SCHEMBL7564611 0.80 ALOX15 (0.64) ALOX15ALDH1A1RAB9ALMNANPC1
SCHEMBL15320793 0.76 ALOX15 (0.73) ALOX15ALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL2428492 0.74 TDP1 (0.54) ALDH1A1RAB9ALMNANPC1SMN1; SMN2
SCHEMBL2434057 0.74 ALOX15 (0.55) ALOX15ALDH1A1RAB9ALMNAMAPT
SCHEMBL2434054 0.74 ALOX15 (0.55) ALOX15ALDH1A1RAB9ALMNAMAPT

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 1532/4885ALDH1A1 323/4885RAB9A 2021/4885

“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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