SCHEMBL2915892

SCHEMBL2915892

CN1CC[N]CC1CC(=O)O

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
OPRD1 P41143 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRR1 P24046 1/20 0.31
SLC6A1 P30531 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRB2 P47870 1/20 0.31
SLC6A12 P48065 1/20 0.31
SLC6A11 P48066 1/20 0.31
GABRA4 P48169 1/20 0.31
SLC6A13 Q9NSD5 1/20 0.31

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
SCHEMBL2913123 0.89 TSHR (0.35) TSHROPRD1
SCHEMBL2919520 0.84 TSHR (0.36) TSHROPRD1
SCHEMBL2919204 0.84
SCHEMBL2920299 0.82
SCHEMBL2915538 0.81 BRD4 (0.37) TSHR
SCHEMBL2917765 0.81
SCHEMBL2917560 0.78 GAA (0.34) TSHRGABRA1GABRB2
SCHEMBL188529 0.76
SCHEMBL2911063 0.75
SCHEMBL2915338 0.74 TSHR (0.33) TSHRGABRA1GABRR1SLC6A1GABRA5

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 TSHR 4631/4885OPRD1 1079/4885GABRA1 2414/4885
US-20060189591-A1 Five-membered heterocyclic derivative PTGS1, PTGIS, PTGS2 TSHR 4671/4885OPRD1 2485/4885GABRA1 2974/4885

“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.