SCHEMBL9020085

SCHEMBL9020085

CN1C2CCC1CC(C=O)C2

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
CYP2C9 P11712 1/20 0.48
SLC6A2 P23975 1/20 0.34
SLC6A3 Q01959 1/20 0.34
MAPK1 P28482 1/20 0.33
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33
CHRNA7 P36544 1/20 0.33
HTR3A P46098 1/20 0.33
HTR3D Q70Z44 1/20 0.33
HTR3C Q8WXA8 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 2/20 0.33
TSHR P16473 1/20 0.33
MEN1 O00255 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL29953201 1.00 LMNA (0.48) LMNACYP2C9SLC6A2SLC6A3MAPK1
SCHEMBL4667124 0.75 CYP2C9 (0.48) LMNACYP2C9SLC6A2SLC6A3CYP1A2
SCHEMBL3438658 0.74
SCHEMBL9387173 0.70 LMNA (0.55) LMNACYP2C9SLC6A2SLC6A3MAPK1
SCHEMBL4722010 0.70 CYP2C9 (0.55) LMNACYP2C9SLC6A2SLC6A3CYP1A2
SCHEMBL2131516 0.70 LMNA (0.55) LMNACYP2C9SLC6A2SLC6A3MAPK1
SCHEMBL2131520 0.70 LMNA (0.55) LMNACYP2C9SLC6A2SLC6A3MAPK1
SCHEMBL2442821 0.70 LMNA (0.55) LMNACYP2C9SLC6A2SLC6A3MAPK1
SCHEMBL24473924 0.70 LMNA (0.38) LMNACYP2C9TDP1
SCHEMBL15372499 0.70 LMNA (0.38) LMNACYP2C9TDP1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022099144-A1 ΡΡΑRγ MODULATORS AND METHODS OF USE Eisai R&D Mangement Co., Ltd. (JP) 2022-05-12 WO disclosed
US-20120203004-A1 PROCESS FOR THE SYNTHESIS OF ALKYL/ARALKYL (2S)-2-(TERT-BUTOXYCARBONYL)-AMINO-2-[-8-AZABICYCLO[3.2.1]OCT-3-YL]-EXO-ACETATE AND ANALOGS THEREOF: KEY INTERMEDIATES FOR THE PREPARATION OF DPPIV INHIBITORS LUPIN LIMITED (IN) 2012-08-09 US disclosed
US-20120203004-A1 PROCESS FOR THE SYNTHESIS OF ALKYL/ARALKYL (2S)-2-(TERT-BUTOXYCARBONYL)-AMINO-2-[-8-AZABICYCLO[3.2.1]OCT-3-YL]-EXO-ACETATE AND ANALOGS THEREOF: KEY INTERMEDIATES FOR THE PREPARATION OF DPPIV INHIBITORS LUPIN LIMITED (IN) 2012-08-09 US disclosed
EP-0498331-B1 N-(aryloxyalkyl)heteroaryl-8-azabicyclo(3.2.1)octanes, intermediates and a process for the preparation thereof and their use as medicaments HOECHST ROUSSEL PHARMA (US) 1996-05-22 EP disclosed
US-5340936-A Antipsychotic agents HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1994-08-23 US disclosed
US-5334599-A Heteroaryl-8-azabicyclo[3,2,1]octanes as antipsychotic agents, 5-HT3 receptor antagonists and inhibitors of the reuptake of serotonin HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1994-08-02 US disclosed
EP-0498331-A1 N-(aryloxyalkyl)heteroaryl-8-azabicyclo(3.2.1)octanes, intermediates and a process for the preparation thereof and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1992-08-12 EP 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-20120203004-A1 PROCESS FOR THE SYNTHESIS OF ALKYL/ARALKYL (2S)-2-(TERT-BUTOXYCARBONYL)-AMINO-2-[-8-AZABICYCLO[3.2.1]OCT-3-YL]-EXO-ACETATE AND ANALOGS THEREOF: KEY INTERMEDIATES FOR THE PREPARATION OF DPPIV INHIBITORS DPP4, DPP8, DPP7 LMNA 3439/4885CYP2C9 2088/4885SLC6A2 4023/4885

“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.