SCHEMBL701025

SCHEMBL701025

Cn1cc(CN[C@@H]2CC3CCN2CC3)c2c(C(=O)O)cccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.37
KDM4E B2RXH2 2/20 0.36
PARP1 P09874 3/20 0.34
PARP2 Q9UGN5 2/20 0.34
CMA1 P23946 2/20 0.34
CTSG P08311 1/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
TP53 P04637 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL701546 0.90 NR4A2 (0.39) KDM4EPARP1PARP2CMA1CTSG
Lithium Ion SCHEMBL702592 0.90 KDM4E (0.35) CDK2KDM4EPARP1PARP2CMA1
SCHEMBL701024 0.78 CHRM2 (0.49) HTR2AHTR2CGAA
SCHEMBL701026 0.78 CHRM2 (0.49) HTR2AHTR2CGAA
SCHEMBL705001 0.77 CHRM2 (0.48) HTR2AHTR2CGAA
SCHEMBL28451001 0.70 LMNA (0.45) CDK2CMA1CTSGCNR1CNR2
SCHEMBL4324940 0.70 CHRM2 (0.48) CDK2HTR2AHTR2C
SCHEMBL1672516 0.70 HTR3A (0.43) CDK2
SCHEMBL4324945 0.70 CHRM2 (0.48) CDK2HTR2AHTR2C
SCHEMBL4325921 0.70 CHRM2 (0.48) CDK2HTR2AHTR2C

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-8710047-B2 5-HT3 receptor modulators, methods of making, and use thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2014-04-29 US disclosed
US-20130310366-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2013-11-21 US disclosed
US-8501729-B2 5-HT3 receptor modulators, methods of making, and use thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2013-08-06 US disclosed
US-20120219641-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2012-08-30 US disclosed
US-8124600-B2 5-HT3 receptor modulators, methods of making, and use thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2012-02-28 US disclosed
WO-2009155054-A2 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2009-12-23 WO disclosed
US-20090298809-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2009-12-03 US 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 (3 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-20130310366-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF HTR3A, HTR5A, HTR3B CDK2 2791/4885KDM4E 3629/4885PARP1 3235/4885
US-20090298809-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF HTR3A, HTR5A, HTR3B CDK2 2791/4885KDM4E 3629/4885PARP1 3235/4885
US-20120219641-A1 5-HT3 RECEPTOR MODULATORS, METHODS OF MAKING, AND USE THEREOF HTR3A, HTR5A, HTR3B CDK2 2791/4885KDM4E 3629/4885PARP1 3235/4885

“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.