SCHEMBL2916592

SCHEMBL2916592

O=C(O)CN1CCCNCC1

nearest known ligand 0.83

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.50
CHRM5 P08912 2/20 0.50
CHRM3 P20309 2/20 0.50
CXCR4 P61073 7/20 0.48
HSD17B10 Q99714 1/20 0.45
MEN1 O00255 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
ADRA2C P18825 1/20 0.43
CCR2 P41597 1/20 0.43
CXCL12 P48061 1/20 0.43
BLM P54132 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43

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
SCHEMBL935078 1.00 SIGMAR1 (0.50) SIGMAR1CHRM5CHRM3CXCR4HSD17B10
SCHEMBL29223244 0.98 CXCR4 (0.52) SIGMAR1CHRM5CHRM3CXCR4HSD17B10
SCHEMBL24177173 0.98 SIGMAR1 (0.49) SIGMAR1CHRM5CHRM3CXCR4HSD17B10
SCHEMBL934649 0.96 CXCR4 (0.55) SIGMAR1CHRM5CHRM3CXCR4HSD17B10
SCHEMBL5134779 0.96 CXCR4 (0.55) SIGMAR1CHRM5CHRM3CXCR4HSD17B10
SCHEMBL13805257 0.96 SIGMAR1 (0.48) SIGMAR1CHRM5CHRM3CXCR4HSD17B10
SCHEMBL8675042 0.94 CHRM5 (0.49) SIGMAR1CHRM5CHRM3CXCR4HSD17B10
SCHEMBL8507105 0.94 HSD17B10 (0.47) SIGMAR1CHRM5CHRM3CXCR4HSD17B10
Pyrrolidine SCHEMBL4661508 0.94 CHRM5 (0.52) SIGMAR1CHRM5CHRM3CXCR4HSD17B10
SCHEMBL28997961 0.92 CHRM5 (0.47) SIGMAR1CHRM5CHRM3CXCR4HSD17B10

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1591443-B1 PYRAZOLE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2010-08-25 EP disclosed
US-7622471-B2 Pyrazole derivatives having a pyridazine and pyridine functionality DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-11-24 US disclosed
US-20060189591-A1 Five-membered heterocyclic derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-08-24 US disclosed
US-20060128685-A1 Pyrazole derivative DAIICHI PHARMACEUTICAL CO., LTD., (JP) 2006-06-15 US disclosed
EP-1621537-A1 FIVE-MEMBERED HETEROCYCLIC DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-02-01 EP disclosed
EP-1591443-A1 PYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-02 EP disclosed
WO-2005027713-A2 COMPOSITIONS, SPLICE VARIANTS AND METHODS RELATING TO COLON SPECIFIC GENES AND PROTEINS DIADEXUS, INC. (US) 2005-03-31 WO disclosed
WO-2005017102-A2 COMPOSITIONS, SPLICE VARIANTS AND METHODS RELATING TO OVARIAN SPECIFIC NUCLEIC ACIDS AND PROTEINS DIADEXUS, INC. (US) 2005-02-24 WO disclosed
WO-2004092338-A2 COMPOSITIONS, SPLICE VARIANTS AND METHODS RELATING TO CANCER SPECIFIC GENES AND PROTEINS DIADEXUS, INC. (US) 2004-10-28 WO disclosed
WO-2004013311-A2 COMPOSITIONS AND METHODS RELATING TO OVARIAN SPECIFIC GENES AND PROTEINS DIADEXUS, INC. (US) 2004-02-12 WO disclosed
WO-2003060121-A2 COMPOSITIONS AND METHODS RELATING TO GASTRIC SPECIFIC GENES AND PROTEINS DIADEXUS, INC. (US) 2003-07-24 WO disclosed
WO-2003060069-A2 COMPOSITIONS AND METHODS RELATING TO HEPATIC SPECIFIC GENES AND PROTEINS DIADEXUS, INC. (US) 2003-07-24 WO disclosed
WO-2003055982-A2 COMPOSITIONS AND METHODS RELATING TO ENDOMETRIAL SPECIFIC GENES AND PROTEINS DIADEXUS, INC. (US) 2003-07-10 WO disclosed
WO-2003020953-A2 COMPOSITIONS AND METHODS RELATING TO COLON SPECIFIC GENES AND PROTEINS DIADEXUS, INC. (US) 2003-03-13 WO disclosed
WO-2003020934-A1 COMPOSITIONS AND METHODS RELATING TO COLON SPECIFIC GENES AND PROTEINS DIADEXUS, INC. (US) 2003-03-13 WO disclosed
WO-2002092785-A2 COMPOSITION AND METHODS RELATING TO OVARIAN SPECIFIC GENES AND PROTEINS DIADEXUS, INC. (US) 2002-11-21 WO disclosed
WO-2002064744-A2 COMPOSITIONS AND METHODS RELATING TO COLON SPECIFIC GENES AND PROTEINS DIADEXUS, INC. (US) 2002-08-22 WO disclosed
WO-2002055735-A2 COMPOSITIONS AND METHODS RELATING TO PROSTATE SPECIFIC GENES AND PROTEINS DIADEXUS INC (US) 2002-07-18 WO disclosed
WO-2002024718-A1 COMPOSITIONS AND METHODS RELATING TO PROSTATE SPECIFIC GENES AND PROTEINS DIADEXUS, INC. (US) 2002-03-28 WO disclosed
WO-2001092524-A2 MYOSIN-LIKE GENE EXPRESSED IN HUMAN HEART AND MUSCLE AEOMICA, INC. (US) 2001-12-06 WO 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 (2 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-20060128685-A1 Pyrazole derivative PTGS1, PTGS2, PTGER1 SIGMAR1 1082/4885CHRM5 4512/4885CHRM3 3715/4885
US-20060189591-A1 Five-membered heterocyclic derivative PTGS1, PTGIS, PTGS2 SIGMAR1 3899/4885CHRM5 4763/4885CHRM3 4856/4885

“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.