SCHEMBL4269334

SCHEMBL4269334

CC1(C)C=C(CN2CCOCC2)C(=O)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
CYP2A13 Q16696 2/20 0.36
ALDH1A1 P00352 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
KCNJ1 P48048 1/20 0.36
HSD17B10 Q99714 5/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 1/20 0.36
KDM4E B2RXH2 3/20 0.35
POLB P06746 1/20 0.35
ATM Q13315 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CXCR4 P61073 1/20 0.35
CNR2 P34972 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL4272266 0.80
SCHEMBL4274342 0.74 MAPK1 (0.36) MAPK1HRH3CYP2A13ALDH1A1SMN1; SMN2
SCHEMBL4272242 0.73 MAPT (0.42) MAPK1ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL11773118 0.70 HRH3 (0.40) HRH3CYP2A13ALDH1A1SMN1; SMN2LMNA
SCHEMBL4277408 0.70
SCHEMBL4266616 0.70 CYP19A1 (0.30)
SCHEMBL4274445 0.69 KCNH2 (0.40) ALDH1A1LMNAMAPTKCNJ1MEN1
SCHEMBL28153702 0.69 KDM4E (0.37) MAPK1HRH3CYP2A13ALDH1A1SMN1; SMN2
SCHEMBL4271420 0.68 CYP19A1 (0.35)
SCHEMBL11250877 0.68 HRH3 (0.47) HRH3CYP2A13ALDH1A1SMN1; SMN2LMNA

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 MAPK1 1491/4885HRH3 413/4885CYP2A13 2717/4885
US-20020165206-A1 Inhibitory or blocking agents of molecular generating and/or inducing functions CD69, TFPI, SERPINE1 MAPK1 163/4885HRH3 4164/4885CYP2A13 3568/4885
US-20040224926-A1 Inhibitory or blocking agents of molecular generating and/or inducing functions CD47, MCL1, CD74 MAPK1 460/4885HRH3 1398/4885CYP2A13 1979/4885
US-20080200558-A1 Inhibitory or blocking agents of molecular generating and/or/ inducing functions CD47, MCL1, BAK1 MAPK1 1247/4885HRH3 467/4885CYP2A13 2772/4885

“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.