SCHEMBL4091444

SCHEMBL4091444

CCN(c1nc(-c2ccccc2OCC2CC2)c2[nH]ncc2n1)c1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
GPBAR1 Q8TDU6 2/20 0.34
BRD4 O60885 1/20 0.32
KDM1A O60341 1/20 0.32
MAOB P27338 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
CRHR1 P34998 2/20 0.31
MGLL Q99685 1/20 0.31
PDE5A O76074 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
KDM2B Q8NHM5 1/20 0.31
PHF8 Q9UPP1 1/20 0.31
PDE10A Q9Y233 1/20 0.31
NLRP3 Q96P20 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
SCHEMBL4090336 0.91 TRPA1 (0.38) TRPA1CRHR1NLRP3HPGD
SCHEMBL4102524 0.90 CRHR1 (0.33) TRPA1CRHR1NLRP3HPGD
SCHEMBL4097513 0.89 PDE5A (0.35) TRPA1CRHR1PDE5ANLRP3HPGD
SCHEMBL4106573 0.89 TRPA1 (0.34) TRPA1TRPM8TRPV1MGLLKDM2B
SCHEMBL4106287 0.88 SMN1; SMN2 (0.35) TRPA1TRPM8GPBAR1CRHR1PDE10A
SCHEMBL4096264 0.88 GPBAR1 (0.33) TRPA1TRPM8TRPV1GPBAR1PDE4A
SCHEMBL4103892 0.88 GPBAR1 (0.35) TRPA1TRPM8TRPV1GPBAR1NLRP3
SCHEMBL4090274 0.87 TRPA1 (0.37) TRPA1TRPM8TRPV1GPBAR1CRHR1
SCHEMBL4102190 0.87 GPBAR1 (0.33) GPBAR1PDE4APDE4BPDE4CPDE4D
SCHEMBL4099101 0.87 TRPA1 (0.32) TRPA1GPBAR1HPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090234117-A1 Pyrazolopyrimidine Derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-09-17 US claimed
EP-1903045-A1 PYRAZOLOPYRIMIDINE DERIVATIVE Mitsubishi Tanabe Pharma Corporation (JP) 2008-03-26 EP claimed
US-20090234117-A1 Pyrazolopyrimidine Derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-09-17 US disclosed
EP-1903045-A1 PYRAZOLOPYRIMIDINE DERIVATIVE Mitsubishi Tanabe Pharma Corporation (JP) 2008-03-26 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 (1 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-20090234117-A1 Pyrazolopyrimidine Derivative MC2R, CRHR1, AVPR2 TRPA1 688/4885TRPM8 901/4885TRPV1 352/4885

“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.