SCHEMBL4789879

SCHEMBL4789879

CC1CC(c2ccc(F)cc2)=CCN1C(=O)c1cc2ncc(Cl)cn2n1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 8/20 0.43
ALDH1A1 P00352 4/20 0.39
HPGD P15428 3/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 2/20 0.36
ESR2 Q92731 2/20 0.36
ESR1 P03372 1/20 0.36
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
KIT P10721 1/20 0.33
HCRTR1 O43613 1/20 0.33
TSHR P16473 1/20 0.33
BRAF P15056 1/20 0.33

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
SCHEMBL4790072 0.93 GRM5 (0.44) GRM5ALDH1A1HPGDLMNAESR2
SCHEMBL4758582 0.93 GRM5 (0.46) GRM5ALDH1A1HPGDLMNAESR2
SCHEMBL4789179 0.91 GRM5 (0.43) GRM5ALDH1A1HPGDLMNAPOLB
SCHEMBL4756503 0.91 GRM5 (0.44) GRM5ALDH1A1HPGDLMNAPOLB
SCHEMBL4789402 0.90 GRM5 (0.41) GRM5ALDH1A1HPGDLMNAKDM4E
SCHEMBL4790148 0.90 ALDH1A1 (0.42) GRM5ALDH1A1HPGDLMNAPOLB
SCHEMBL4758742 0.90 GRM5 (0.43) GRM5ALDH1A1HPGDLMNAESR2
SCHEMBL4788101 0.89 ESR2 (0.48) GRM5ALDH1A1HPGDPOLBESR2
SCHEMBL4789910 0.88 GRM5 (0.41) GRM5ALDH1A1HPGDLMNAMAPT
SCHEMBL4790271 0.87 NPC1 (0.41) GRM5ALDH1A1HPGDLMNA

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
WO-2008015271-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THE USE AS A MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-07 WO claimed
US-20080032998-A1 Pyrazolopyrimidines, a process for their preparation and their use as medicine MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-07 US claimed
WO-2008015271-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THE USE AS A MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-07 WO disclosed
WO-2008015271-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THE USE AS A MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-07 WO disclosed
US-20080032998-A1 Pyrazolopyrimidines, a process for their preparation and their use as medicine MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-07 US disclosed
US-20080032998-A1 Pyrazolopyrimidines, a process for their preparation and their use as medicine MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-07 US disclosed
US-20080032998-A1 Pyrazolopyrimidines, a process for their preparation and their use as medicine MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-07 US 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-20080032998-A1 Pyrazolopyrimidines, a process for their preparation and their use as medicine GRM5, GRM1, GRIK5 GRM5 1/4885ALDH1A1 2588/4885HPGD 1132/4885

“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.