SCHEMBL2426983

SCHEMBL2426983

CCOC(=O)c1ccc(C#N)c(N[C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 2/20 0.47
▸ DRD2 P14416 1/20 0.43
▸ KCNA3 P22001 1/20 0.40
▸ NSD2 O96028 1/20 0.40
▸ EPHX2 P34913 2/20 0.39
▸ BTK Q06187 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ BRD4 O60885 1/20 0.39
▸ PTGER4 P35408 1/20 0.39
▸ TNF P01375 1/20 0.39
▸ IRAK4 Q9NWZ3 1/20 0.39
▸ KDM1A O60341 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ TRPA1 O75762 1/20 0.38
▸ RET P07949 1/20 0.38
▸ CTSK P43235 2/20 0.37

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
SCHEMBL2426985 1.00 ALOX15 (0.47) ALOX15DRD2KCNA3NSD2EPHX2
SCHEMBL2427157 0.88 KCNA3 (0.43) ALOX15DRD2KCNA3NSD2EPHX2
SCHEMBL2427152 0.88 KCNA3 (0.43) ALOX15DRD2KCNA3NSD2EPHX2
SCHEMBL2428995 0.87 DRD2 (0.44) DRD2KCNA3NSD2BTKTNF
SCHEMBL2428992 0.87 DRD2 (0.44) DRD2KCNA3NSD2BTKTNF
SCHEMBL23826087 0.85 ALOX15 (0.49) ALOX15DRD2EPHX2BTKMAPT
SCHEMBL23826085 0.85 ALOX15 (0.49) ALOX15DRD2EPHX2BTKMAPT
SCHEMBL23826603 0.85 ALOX15 (0.49) ALOX15DRD2EPHX2BTKMAPT
SCHEMBL23826899 0.85 ALOX15 (0.49) ALOX15DRD2EPHX2BTKMAPT
SCHEMBL23826600 0.85 ALOX15 (0.49) ALOX15DRD2EPHX2BTKMAPT

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 1532/4885DRD2 206/4885KCNA3 2462/4885

“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.

Send feedback