SCHEMBL3919458

SCHEMBL3919458

O=C(NCC1CNCC1Cc1ccccc1)C1CC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
GBA1 P04062 1/20 0.50
MC4R P32245 1/20 0.47
MTNR1A P48039 4/20 0.45
MTNR1B P49286 4/20 0.45
NPSR1 Q6W5P4 1/20 0.44
LMNA P02545 1/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
REN P00797 2/20 0.42
CTSD P07339 1/20 0.42
CTSE P14091 1/20 0.42
PGC P20142 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
SCHEMBL3913840 1.00 USP2 (0.50) USP2ALDH1A1HPGDGBA1MC4R
SCHEMBL3910978 0.94 ALDH1A1 (0.58) USP2ALDH1A1HPGDGBA1MC4R
SCHEMBL3911232 0.84 SMN1; SMN2 (0.40) USP2ALDH1A1HPGDMTNR1AMTNR1B
SCHEMBL3914246 0.81 MAPT (0.39) USP2ALDH1A1HPGDMTNR1AMTNR1B
SCHEMBL2937707 0.81 GBA1 (0.51) HPGDGBA1MC4RRENCTSD
SCHEMBL5291134 0.81 GBA1 (0.51) HPGDGBA1MC4RRENCTSD
SCHEMBL3911890 0.78 GBA1 (0.48) ALDH1A1GBA1MC4RMTNR1AMTNR1B
SCHEMBL3910631 0.78 GBA1 (0.50) GBA1MC4RRENCTSDCTSE
SCHEMBL3919455 0.78 GBA1 (0.54) ALDH1A1GBA1MC4RMEN1KMT2A
SCHEMBL8223341 0.78 GBA1 (0.54) ALDH1A1GBA1MC4RMEN1KMT2A

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-20090247577-A1 PYRROLIDINE DERIVATIVES USEFUL AS BACE INHIBITORS ROGEL OLIVIER 2009-10-01 US disclosed
EP-2029544-A1 PYRROLIDINE DERIVATIVES USEFUL AS BACE INHIBITORS Novartis AG (CH) 2009-03-04 EP disclosed
WO-2007140980-A1 PYRROLIDINE DERIVATIVES USEFUL AS BACE INHIBITORS NOVARTIS AG (CH) 2007-12-13 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-20090247577-A1 PYRROLIDINE DERIVATIVES USEFUL AS BACE INHIBITORS BACE1, BACE2, APP USP2 2291/4885ALDH1A1 1523/4885HPGD 2680/4885

“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.