SCHEMBL4273459

SCHEMBL4273459

CC1(C)CCC(=O)C=C1N1CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
BAZ2A Q9UIF9 1/20 0.37
ADRB1 P08588 9/20 0.34
HTR3E A5X5Y0 3/20 0.34
HTR3B O95264 3/20 0.34
HTR3A P46098 3/20 0.34
HTR3D Q70Z44 3/20 0.34
HTR3C Q8WXA8 3/20 0.34
SIGMAR1 Q99720 3/20 0.34
SRD5A2 P31213 1/20 0.34
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
DRD2 P14416 2/20 0.33
DRD3 P35462 2/20 0.33
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
HTR1A P08908 1/20 0.33
DRD4 P21917 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
SCHEMBL4271534 0.80 MAPT (0.45) ALDH1A1SRD5A2LMNAMAPT
SCHEMBL4268774 0.72 ALDH1A1 (0.37) ALDH1A1BAZ2ASRD5A2CHRM2CHRM1
SCHEMBL4276987 0.71 ALDH1A1 (0.45) ALDH1A1ADRB1HTR3EHTR3BHTR3A
SCHEMBL4268781 0.71 KCNH2 (0.40) ALDH1A1SIGMAR1LMNAMAPTPDE4A
SCHEMBL27472020 0.66 ALDH1A1 (0.34) ALDH1A1ADRB1CHRM2CHRM4CHRM1
SCHEMBL16906206 0.65 MAPT (0.74) ALDH1A1ADRB1HTR3EHTR3BHTR3A
SCHEMBL10724563 0.64 ALDH1A1 (1.00) ALDH1A1BAZ2AADRB1LMNAMAPT
SCHEMBL27469621 0.64 HTR1A (0.34) ALDH1A1DRD2DRD3HTR2AHTR2C
SCHEMBL857338 0.64 POLB (0.37) ALDH1A1SRD5A2LMNA
SCHEMBL4272414 0.63 ALDH1A1 (0.41) ALDH1A1BAZ2AADRB1HTR3EHTR3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7605183-B2 Inhibitory or blocking agents of molecular generating and/or inducing functions KOYAMA SHOZO 2009-10-20 US disclosed
US-20080200558-A1 Inhibitory or blocking agents of molecular generating and/or/ inducing functions KOYAMA SHOZO 2008-08-21 US disclosed
US-20070066654-A1 Inhibitory or blocking agents of molecular generating and/or inducing functions KOYAMA SHOZO 2007-03-22 US disclosed
EP-0780122-B1 DEPRESSANT OF FUNCTIONS DEVELOPED BY MOLECULE KOYAMA SHOZO (JP) 2006-11-22 EP disclosed
US-20040224926-A1 Inhibitory or blocking agents of molecular generating and/or inducing functions KOYAMA SHOZO (JP) 2004-11-11 US disclosed
US-6710090-B2 A CYCLOHEX-1-EN-2-ONE COMPOUND KOYAMA SHOZO (JP) 2004-03-23 US disclosed
US-20020165206-A1 Inhibitory or blocking agents of molecular generating and/or inducing functions KOYAMA SHOZO (JP) 2002-11-07 US disclosed
US-6346551-B1 ANTIBACTERIAL, ANTIFUNGAL, ANTIVIRAL, BACTERICIDAL AND/OR STERILIZATION AGENTS, ANTICANCER DRUGS, BLOOD COAGULATION AND FIBRINOLYSIS INHIBITORS AND/OR BLOCKING AGENTS, INHIBITORY AND/OR BLOCKING AGENTS OF ANTIGEN-ANTIBODY REACTIONS KOYAMA SHOZO (JP) 2002-02-12 US disclosed
EP-0780122-A1 DEPRESSANT OF FUNCTIONS DEVELOPED BY MOLECULE Koyama, Shozo (JP) 1997-06-25 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 (4 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-20070066654-A1 Inhibitory or blocking agents of molecular generating and/or inducing functions CD47, SERPINB6, CD74 ALDH1A1 1104/4885BAZ2A 2779/4885ADRB1 1147/4885
US-20020165206-A1 Inhibitory or blocking agents of molecular generating and/or inducing functions CD69, TFPI, SERPINE1 ALDH1A1 2177/4885BAZ2A 3806/4885ADRB1 3876/4885
US-20040224926-A1 Inhibitory or blocking agents of molecular generating and/or inducing functions CD47, MCL1, CD74 ALDH1A1 595/4885BAZ2A 3066/4885ADRB1 659/4885
US-20080200558-A1 Inhibitory or blocking agents of molecular generating and/or/ inducing functions CD47, MCL1, BAK1 ALDH1A1 1294/4885BAZ2A 2607/4885ADRB1 1116/4885

“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.