SCHEMBL1976733

SCHEMBL1976733

O=C(O)c1ccc(OCCCN2CC[C@H]3C[C@H]32)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.49
TBXAS1 P24557 1/20 0.47
PKM P14618 1/20 0.47
HRH3 Q9Y5N1 8/20 0.46
MAOB P27338 1/20 0.46
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
PLA2G4B P0C869 1/20 0.45
ALDH1A1 P00352 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PTGER4 P35408 1/20 0.44

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
SCHEMBL1976731 1.00 KDM1A (0.49) KDM1ATBXAS1PKMHRH3MAOB
SCHEMBL1976735 1.00 KDM1A (0.49) KDM1ATBXAS1PKMHRH3MAOB
SCHEMBL1976486 0.89 HRH3 (0.59) TBXAS1HRH3MAOB
SCHEMBL1976489 0.89 HRH3 (0.59) TBXAS1HRH3MAOB
SCHEMBL1976491 0.89 HRH3 (0.59) TBXAS1HRH3MAOB
Hydrochloric Acid SCHEMBL13583752 0.89 HRH3 (0.45) HRH3MAOB
Hydrochloric Acid SCHEMBL13583749 0.89 HRH3 (0.45) HRH3MAOB
Hydrochloric Acid SCHEMBL13583751 0.89 HRH3 (0.45) HRH3MAOB
Hydrochloric Acid SCHEMBL13583125 0.88 HRH3 (0.58) TBXAS1HRH3MAOB
Hydrochloric Acid SCHEMBL13583122 0.88 HRH3 (0.58) TBXAS1HRH3MAOB

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-20120283245-A1 AZABICYCLO[3.1.0]HEX-2-YL COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2012-11-08 US disclosed
EP-2509947-A1 AZABICYCLO[3.1.0]HEX-2-YL DERIVATIVES, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Les Laboratoires Servier (FR) 2012-10-17 EP disclosed
WO-2011070253-A1 AZABICYCLO[3.1.0]HEX-2-YL DERIVATIVES, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2011-06-16 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-20120283245-A1 AZABICYCLO[3.1.0]HEX-2-YL COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AGER, AZI2, HTT KDM1A 55/4885TBXAS1 2174/4885PKM 3209/4885

“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.