SCHEMBL8672902

SCHEMBL8672902

COc1cccc2c1C(C)(CC#N)C(=O)N2C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.35
HSD11B1 P28845 4/20 0.34
AADAT Q8N5Z0 1/20 0.34
HTR1A P08908 3/20 0.33
HTR7 P34969 3/20 0.33
HTR6 P50406 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA1A P35348 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
SCHEMBL3483987 0.76 MGLL (0.42) MGLLSMN1; SMN2HSD11B1AADATMEN1
SCHEMBL9603210 0.76 MAPT (0.45) SMN1; SMN2MEN1KMT2AKDM4EALDH1A1
SCHEMBL8665499 0.76 MAPT (0.45) SMN1; SMN2MEN1KMT2AKDM4EALDH1A1
SCHEMBL9118900 0.72 NQO2 (0.46) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL12083228 0.72 NQO2 (0.46) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL30972520 0.69 ALDH1A1 (0.43) MGLLSMN1; SMN2HSD11B1AADATMEN1
SCHEMBL9100828 0.65 MEN1 (0.37) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL7823372 0.64 CYP1A2 (0.41) MGLLSMN1; SMN2HSD11B1AADATHTR1A
SCHEMBL10206569 0.63 NOTUM (0.38) HTR1AHTR7KDM4EALDH1A1MAPT
SCHEMBL31186391 0.62 ALDH1A1 (0.41) MEN1KMT2AALDH1A1MAPTMAPK1

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
US-5260452-A 4- and 6-carbamates related to physostigmine and intermediates for the preparation thereof HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1993-11-09 US claimed
US-5726323-A COMPOUNDS USEFUL FOR ALLEVIATING MEMORY DYSFUNCTIONS HOECHST MARION ROUSSEL, INC. 1998-03-10 US disclosed
US-5591864-A CHEMICAL INTERMEDIATES FOR COMPOUNDS WHICH ALLEVIATE MEMORY DYSFUNCITONS HOECHST MARION ROUSSEL, INC. (US) 1997-01-07 US disclosed
EP-0484573-B1 4- and 6-Carbamates related to physostigmine, a process and intermediates for their preparation and their use as medicaments HOECHST ROUSSEL PHARMA (US) 1996-03-13 EP disclosed
US-5260452-A 4- and 6-carbamates related to physostigmine and intermediates for the preparation thereof HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1993-11-09 US disclosed
EP-0484573-A1 4- and 6-Carbamates related to physostigmine, a process and intermediates for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1992-05-13 EP disclosed
US-5081117-A Treatment of memory dysfunctions such as in Alzheimer's disease HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1992-01-14 US disclosed