SCHEMBL2918801

SCHEMBL2918801

CN1CC[N]CCC1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.33
ACE P12821 6/20 0.32
HSD17B10 Q99714 3/20 0.31
KDM4E B2RXH2 2/20 0.31
USP2 O75604 1/20 0.31
HPGD P15428 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
REN P00797 2/20 0.30
LMNA P02545 2/20 0.30
CYP2C19 P33261 1/20 0.30
F2 P00734 1/20 0.30
LTA4H P09960 1/20 0.30
PEPD P12955 1/20 0.30
ALOX15 P16050 1/20 0.30
PTGS1 P23219 1/20 0.30
HTR2A P28223 1/20 0.30
PTGS2 P35354 1/20 0.30
HRH1 P35367 1/20 0.30
THPO P40225 1/20 0.30
PMP22 Q01453 1/20 0.30

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
SCHEMBL2915506 0.82 SMN1; SMN2 (0.32)
SCHEMBL2222823 0.82
SCHEMBL2921240 0.81 BCHE (0.32)
SCHEMBL2915680 0.79 CYP3A4 (0.35)
SCHEMBL3419839 0.78
SCHEMBL805210 0.78
SCHEMBL688927 0.78
SCHEMBL145545 0.74
SCHEMBL77336 0.74
SCHEMBL163401 0.74

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 6 patents. 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

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 MAPT 3761/4885ACE 1092/4885HSD17B10 1334/4885
US-20060189591-A1 Five-membered heterocyclic derivative PTGS1, PTGIS, PTGS2 MAPT 4426/4885ACE 536/4885HSD17B10 309/4885

“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.