SCHEMBL930670

SCHEMBL930670

COc1ccc2c(c1)N(C)NCC2

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 5/20 0.46
DRD5 P21918 5/20 0.46
DRD2 P14416 4/20 0.46
DRD3 P35462 4/20 0.46
HTR2C P28335 4/20 0.46
HTR2B P41595 3/20 0.46
HTR2A P28223 1/20 0.45
DRD4 P21917 2/20 0.42
CHRNA7 P36544 1/20 0.41
BIRC2 Q13490 1/20 0.40
MAPT P10636 2/20 0.40
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
HTR3A P46098 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
LMNA P02545 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL927901 0.87 HTR2C (0.48) DRD1DRD5DRD2DRD3HTR2C
SCHEMBL929001 0.77 ALDH1A1 (0.42) DRD2HTR2CHTR2BHTR2ADRD4
SCHEMBL930645 0.76 HTR2A (0.47) DRD1DRD2DRD3HTR2CHTR2B
SCHEMBL928907 0.76 HTR2C (0.43) HTR2CHTR2BHTR2AALDH1A1
SCHEMBL929817 0.76 PNMT (0.44) HTR2CHTR2BHTR2ABIRC2LMNA
Hydrochloric Acid SCHEMBL941711 0.75 HTR2C (0.42) HTR2CHTR2BHTR2AALDH1A1
SCHEMBL10193187 0.74 DRD1 (0.59) DRD1DRD5DRD2DRD3HTR2C
SCHEMBL927880 0.72 HTR2A (0.47) HTR2CHTR2BHTR2ABIRC2
SCHEMBL28202082 0.72 HTR2C (0.47) DRD1DRD5DRD2DRD3HTR2C
SCHEMBL24316050 0.71 DRD1 (0.55) DRD1DRD5DRD2DRD3HTR2C

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-20110003820-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2011-01-06 US disclosed
EP-2247590-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE Merz Pharma GmbH & Co. KGaA (DE) 2010-11-10 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
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
WO-2009095254-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2009-08-06 WO disclosed
EP-2085398-A1 Pyrazolopyrimidines, a process for their preparation and their use as medicine Merz Pharma GmbH & Co. KGaA (DE) 2009-08-05 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-20110003820-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE GRM5, GRIK5, GRK5 DRD1 792/4885DRD5 47/4885DRD2 567/4885

“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.