SCHEMBL1010526

SCHEMBL1010526

CC1NCCc2cccc([N+](=O)[O-])c21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.45
CHRNB2 P17787 1/20 0.44
CHRNA4 P43681 1/20 0.44
PNMT P11086 1/20 0.42
TDP1 Q9NUW8 3/20 0.41
HSD17B10 Q99714 3/20 0.40
CYP3A4 P08684 2/20 0.40
ALDH1A1 P00352 1/20 0.40
ALOX15 P16050 1/20 0.40
PARP1 P09874 1/20 0.38
ACHE P22303 1/20 0.38
TSHR P16473 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTR2C P28335 2/20 0.37
GPR35 Q9HC97 1/20 0.37
HTR2A P28223 1/20 0.36
HTR2B P41595 1/20 0.36
TBXA2R P21731 1/20 0.36
NOS1 P29475 2/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL1010684 0.76 TDP1 (0.41) PNMTTDP1HSD17B10ALDH1A1TSHR
SCHEMBL5178687 0.75 HTR1A (0.40) HTR1ACHRNB2CHRNA4PNMTTDP1
SCHEMBL19684822 0.74 HTR2C (0.42) HSD17B10PARP1TSHRHTR2CKDM4E
SCHEMBL7818489 0.74 HTR2C (0.42) HSD17B10PARP1TSHRHTR2CKDM4E
SCHEMBL19684816 0.74 HTR2C (0.42) HSD17B10PARP1TSHRHTR2CKDM4E
SCHEMBL19711049 0.72 HTR2C (0.41) HSD17B10PARP1TSHRHTR2CKDM4E
SCHEMBL19711053 0.72 HTR2C (0.41) HSD17B10PARP1TSHRHTR2CKDM4E
SCHEMBL1010276 0.72 HTR2C (0.41) HSD17B10PARP1TSHRHTR2CKDM4E
SCHEMBL30983663 0.72 HTR2C (0.41) HSD17B10PARP1TSHRHTR2CKDM4E
SCHEMBL1011486 0.71 PARP1 (0.39) HTR1AHSD17B10ALDH1A1PARP1TSHR

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 7 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-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 HTR1A 67/4885CHRNB2 218/4885CHRNA4 52/4885
US-20080039458-A1 Substituted pyrazolopyrimidines, a process for their preparation and their use as medicine GRM5, GRM1, GRM3 HTR1A 66/4885CHRNB2 243/4885CHRNA4 56/4885

“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.