SCHEMBL1010132

SCHEMBL1010132

CC1NCCc2ccc(S(C)(=O)=O)cc21

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PNMT P11086 5/20 0.53
MAOA P21397 7/20 0.49
DRD2 P14416 2/20 0.49
TSHR P16473 2/20 0.49
HSD17B10 Q99714 2/20 0.49
KDM4E B2RXH2 1/20 0.49
CYP2C9 P11712 1/20 0.49
DRD3 P35462 1/20 0.49
HIF1A Q16665 1/20 0.49
DRD4 P21917 1/20 0.49
XIAP P98170 1/20 0.43
CYP2D6 P10635 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KDM1A O60341 1/20 0.41

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
SCHEMBL1012723 0.88 PNMT (0.53) PNMTMAOADRD2TSHRHSD17B10
SCHEMBL3246692 0.80 ADRB2 (0.51) PNMTKDM4EXIAPALDH1A1KDM1A
SCHEMBL19512604 0.75 MAOA (0.56) MAOADRD2TSHRHSD17B10KDM4E
SCHEMBL1011743 0.75 MAOA (0.56) MAOADRD2TSHRHSD17B10KDM4E
SCHEMBL1013537 0.74 ALDH1A1 (0.52) PNMTMAOADRD2TSHRHSD17B10
SCHEMBL10623918 0.74 PNMT (0.55) PNMTKDM1A
SCHEMBL1011034 0.73 HTR2A (0.63) PNMTMAOADRD2TSHRHSD17B10
SCHEMBL21470621 0.73 MAOA (0.64) MAOADRD2TSHRHSD17B10KDM4E
SCHEMBL22680097 0.73 HTR2A (0.63) MAOADRD2TSHRHSD17B10KDM4E
SCHEMBL5682329 0.73 MAOA (0.64) MAOADRD2TSHRHSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110212956-A1 Pyrazolopyrimidines for treating CNS disorders MERZ PHARMA GMBH & CO. KGAA (DE) 2011-09-01 US disclosed
US-7985753-B2 Substituted pyrazolo[1,5-A]pyrimidines as metabotropic glutamate receptor modulators MERZ PHARMA GMBH & CO. KGAA (DE) 2011-07-26 US disclosed
EP-2295439-A1 Substituted pyrazolopyrimidines, a process for their preparation and their use as medicine Merz Pharma GmbH & Co. KGaA (DE) 2011-03-16 EP disclosed
EP-2054416-B1 SUBSTITUTED PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO KGAA (DE) 2011-01-05 EP disclosed
EP-2090576-A1 6-halo-pyrazolo[1,5-a]pyridines, a process for their preparation and their use as metabotropic glutamate receptor (mGluR) modulators Merz Pharma GmbH & Co.KGaA (DE) 2009-08-19 EP disclosed
WO-2009095253-A1 6-HALO-PYRAZOLO[1, 5-A]PYRIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR (MGLUR) MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2009-08-06 WO disclosed
EP-2054416-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE Merz Pharma GmbH & Co. KGaA (DE) 2009-05-06 EP disclosed
US-20080039458-A1 Substituted pyrazolopyrimidines, a process for their preparation and their use as medicine MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-14 US disclosed
WO-2008015269-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-07 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-20110212956-A1 Pyrazolopyrimidines for treating CNS disorders GRM5, GRM3, GRM1 PNMT 481/4885MAOA 3070/4885DRD2 69/4885
US-20080039458-A1 Substituted pyrazolopyrimidines, a process for their preparation and their use as medicine GRM5, GRM1, GRM3 PNMT 824/4885MAOA 2896/4885DRD2 133/4885

“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.