SCHEMBL1012747

SCHEMBL1012747

CC1c2cccc(C(=O)N3CCOCC3)c2CCN1C(=O)c1cc2ncc(Cl)cn2n1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 3/20 0.48
HPGD P15428 3/20 0.48
TSHR P16473 1/20 0.48
GRM5 P41594 9/20 0.45
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 1/20 0.38
ESR1 P03372 2/20 0.38
POLB P06746 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
F11 P03951 1/20 0.38
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
LMNA P02545 2/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 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
SCHEMBL1010433 0.90 ESR2 (0.62) ESR2HPGDTSHRGRM5ALDH1A1
SCHEMBL1012541 0.88 GRM5 (0.44) ESR2HPGDTSHRGRM5ALDH1A1
SCHEMBL4081280 0.88 GRM5 (0.44) ESR2HPGDTSHRGRM5ALDH1A1
SCHEMBL1009991 0.87 KLKB1 (0.44) ESR2HPGDTSHRGRM5L3MBTL1
SCHEMBL3813147 0.86 F11 (0.40) HPGDALDH1A1KDM4EL3MBTL1F11
SCHEMBL1013119 0.85 GRM5 (0.44) HPGDGRM5ALDH1A1POLBTDP1
SCHEMBL1010530 0.85 GRM5 (0.43) ESR2HPGDGRM5ALDH1A1KDM4E
SCHEMBL1009118 0.85 GRM5 (0.46) ESR2HPGDTSHRGRM5ALDH1A1
SCHEMBL1010766 0.84 GRM5 (0.46) ESR2HPGDTSHRGRM5ALDH1A1
SCHEMBL1010423 0.84 GRM5 (0.48) ESR2HPGDGRM5ALDH1A1KDM4E

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 ESR2 470/4885HPGD 1897/4885TSHR 609/4885
US-20080039458-A1 Substituted pyrazolopyrimidines, a process for their preparation and their use as medicine GRM5, GRM1, GRM3 ESR2 592/4885HPGD 1267/4885TSHR 925/4885

“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.