SCHEMBL3914249

SCHEMBL3914249

Brc1ccccc1C[C@@H]1CNC[C@@H]1CNC1CC1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.35
ATM Q13315 1/20 0.33
SLC6A2 P23975 3/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 1/20 0.33
TAAR1 Q96RJ0 2/20 0.32
SIGMAR1 Q99720 1/20 0.32
GBA1 P04062 1/20 0.31
ALDH1A1 P00352 3/20 0.31
TSHR P16473 1/20 0.31
RECQL P46063 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
P2RX7 Q99572 1/20 0.30
MITF O75030 1/20 0.30
HTT P42858 1/20 0.30
REN P00797 1/20 0.30
IDO1 P14902 1/20 0.30

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
SCHEMBL8223793 1.00 KDM1A (0.35) KDM1AATMSLC6A2SLC6A4SLC6A3
SCHEMBL3913849 0.79 GBA1 (0.51) GBA1REN
SCHEMBL8222704 0.79 GBA1 (0.51) GBA1REN
SCHEMBL3914246 0.79 MAPT (0.39) ALDH1A1P2RX7
SCHEMBL3911234 0.75 CARM1 (0.40) KDM1ATAAR1SIGMAR1GBA1REN
SCHEMBL8225983 0.74 GBA1 (0.49) TAAR1GBA1REN
SCHEMBL3910981 0.74 GBA1 (0.49) TAAR1GBA1REN
SCHEMBL16030618 0.72 HTR2C (0.45) KDM1AATMSLC6A2SLC6A4SLC6A3
SCHEMBL902134 0.71 KDM1A (0.56) KDM1AATMSLC6A2SLC6A4SLC6A3
SCHEMBL13652238 0.68 NAMPT (0.43) KDM1A

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
EP-2029544-A1 PYRROLIDINE DERIVATIVES USEFUL AS BACE INHIBITORS Novartis AG (CH) 2009-03-04 EP claimed
WO-2007140980-A1 PYRROLIDINE DERIVATIVES USEFUL AS BACE INHIBITORS NOVARTIS AG (CH) 2007-12-13 WO claimed
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 KDM1A 2104/4885ATM 3902/4885SLC6A2 2162/4885

“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.