SCHEMBL2427149

SCHEMBL2427149

CC(O)c1ccc(N2CCN(C(=O)O)CC2)nc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OGA O60502 3/20 0.54
SMO Q99835 1/20 0.52
PANK3 Q9H999 11/20 0.51
ME2 P23368 2/20 0.43
ME1 P48163 2/20 0.43
ME3 Q16798 2/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
ADRB2 P07550 1/20 0.43
AKR1C3 P42330 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
SCHEMBL2425899 0.82 GPR119 (0.53) OGAPANK3ALDH1A1
SCHEMBL5237033 0.79 PANK3 (0.57) PANK3ME2ME1ME3KDM4E
SCHEMBL10136514 0.78 PANK3 (0.57) SMOPANK3KDM4EALDH1A1
SCHEMBL5234572 0.78 PANK3 (0.55) PANK3ME2ME1ME3
SCHEMBL31627497 0.78 ALDH1A1 (0.51) OGAPANK3ALDH1A1
SCHEMBL21447902 0.78 OGA (0.54) OGASMOKDM4EALDH1A1AKR1C3
SCHEMBL21551525 0.77 ME2 (0.66) ME2ME1ME3ALDH1A1AKR1C3
SCHEMBL26027621 0.77 PANK3 (0.60) SMOPANK3KDM4EALDH1A1ADRB2
SCHEMBL2456399 0.76 ME2 (0.47) OGAME2ME1ME3KDM4E
SCHEMBL16397570 0.76 PANK3 (0.57) PANK3ME2ME1ME3

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 OGA 4344/4885SMO 1761/4885PANK3 4870/4885

“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.