SCHEMBL2428995

SCHEMBL2428995

CC(C)(C)OC(=O)NC1CCC(Nc2cc(C(=O)O)ccc2C#N)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 1/20 0.44
▸ KDM1A O60341 1/20 0.43
▸ MAOB P27338 1/20 0.43
▸ KCNA3 P22001 1/20 0.43
▸ BTK Q06187 3/20 0.41
▸ HCAR3 P49019 1/20 0.41
▸ TRPA1 O75762 1/20 0.41
▸ CTSK P43235 2/20 0.40
▸ TNF P01375 1/20 0.39
▸ IRAK4 Q9NWZ3 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ PTGDR2 Q9Y5Y4 1/20 0.39
▸ KDM4D Q6B0I6 1/20 0.39
▸ NSD2 O96028 1/20 0.39
▸ SUV39H2 Q9H5I1 2/20 0.38
▸ AR P10275 1/20 0.38
▸ RET P07949 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ L3MBTL1 Q9Y468 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
SCHEMBL2428992 1.00 DRD2 (0.44) DRD2KDM1AMAOBKCNA3BTK
SCHEMBL2426983 0.87 ALOX15 (0.47) DRD2KDM1AMAOBKCNA3BTK
SCHEMBL2426985 0.87 ALOX15 (0.47) DRD2KDM1AMAOBKCNA3BTK
SCHEMBL12820827 0.86 AAK1 (0.45) DRD2KDM1AMAOBKCNA3BTK
SCHEMBL2427152 0.85 KCNA3 (0.43) DRD2KDM1AMAOBKCNA3BTK
SCHEMBL2427157 0.85 KCNA3 (0.43) DRD2KDM1AMAOBKCNA3BTK
SCHEMBL23825840 0.83 KDM1A (0.46) DRD2KDM1AMAOBKCNA3BTK
SCHEMBL23825838 0.83 KDM1A (0.46) DRD2KDM1AMAOBKCNA3BTK
SCHEMBL6154745 0.79 GPR119 (0.44) DRD2KDM1AMAOBKCNA3BTK
SCHEMBL6154752 0.79 GPR119 (0.44) DRD2KDM1AMAOBKCNA3BTK

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 3 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
US-20090163471-A1 Tropane compounds EXELIXIS, INC. 2009-06-25 — — 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 (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 DRD2 206/4885KDM1A 2695/4885MAOB 25/4885

“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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