SCHEMBL1364286

SCHEMBL1364286

Cc1cc(CCN)sc1C

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 6/20 0.38
HTR1D P28221 1/20 0.38
RIPK1 Q13546 1/20 0.37
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
DAO P14920 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2A6 P11509 1/20 0.33
HRH1 P35367 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
TSHR P16473 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
SCHEMBL1169964 0.81
SCHEMBL14117321 0.79 RIPK1 (0.41) RIPK1KDM4EMEN1ALDH1A1MAPT
SCHEMBL11246897 0.71
SCHEMBL11067923 0.71 AGXT (0.44) RIPK1KDM4EMEN1ALDH1A1MAPT
SCHEMBL16418570 0.70 HRH3 (0.37) TAAR1RIPK1ALDH1A1
SCHEMBL3460385 0.70 RIPK1 (0.35) TAAR1RIPK1CYP2A6
SCHEMBL19435063 0.68 PRMT6 (0.48) RIPK1KDM4EMEN1ALDH1A1MAPT
SCHEMBL14093052 0.68 RIPK1 (0.44) RIPK1KDM4EMEN1ALDH1A1MAPT
SCHEMBL1871304 0.67 KDM4E (0.42) RIPK1KDM4EMEN1ALDH1A1MAPT
SCHEMBL3444431 0.65 MAPT (0.50) RIPK1KDM4EMEN1ALDH1A1MAPT

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067598-B2 Heterofused piperidines as orexin antagonists HOFFMAN-LA ROCHE INC. (US) 2011-11-29 US disclosed
EP-2144906-B1 HETEROCYCLES AS OREXIN ANTAGONISTS HOFFMANN LA ROCHE (CH) 2011-06-15 EP disclosed
US-7947689-B2 Substituted pyrazolo[1,5-a]pyrimidines as metabotropic glutamate receptor modulators MERZ PHARMA GMBH & CO. KGAA (DE) 2011-05-24 US disclosed
US-7947689-B2 Substituted pyrazolo[1,5-a]pyrimidines as metabotropic glutamate receptor modulators MERZ PHARMA GMBH & CO. KGAA (DE) 2011-05-24 US disclosed
US-7947689-B2 Substituted pyrazolo[1,5-a]pyrimidines as metabotropic glutamate receptor modulators MERZ PHARMA GMBH & CO. KGAA (DE) 2011-05-24 US disclosed
EP-2054421-B1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO KGAA (DE) 2010-11-17 EP disclosed
EP-2054421-B1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO KGAA (DE) 2010-11-17 EP disclosed
CN-101646668-A Heterocycles as orexin antagonists HOFFMANN LA ROCHE CH 2010-02-10 CN disclosed
EP-2144906-A1 HETEROCYCLES AS OREXIN ANTAGONISTS F. Hoffmann-Roche AG (CH) 2010-01-20 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
CN-101501042-A Pyrazolopyrimidines, a process for their preparation and their use as medicine MERZ PHARMA GMBH & CO KGAA (DE) 2009-08-05 CN disclosed
EP-2054421-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE Merz Pharma GmbH & Co. KGaA (DE) 2009-05-06 EP disclosed
WO-2008122513-A1 HETEROCYCLES AS OREXIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2008-10-16 WO disclosed
US-20080249125-A1 HETEROCYCLIC DERIVATIVES AS OREXIN ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2008-10-09 US disclosed
US-20080039476-A1 Pyrazolopyrimidines, a process for their preparation and their use as medicine MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-14 US disclosed
US-20080039476-A1 Pyrazolopyrimidines, a process for their preparation and their use as medicine MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-14 US disclosed
US-20080039476-A1 Pyrazolopyrimidines, a process for their preparation and their use as medicine MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-14 US disclosed
WO-2008015270-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-07 WO disclosed
WO-2008015270-A1 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-20080249125-A1 HETEROCYCLIC DERIVATIVES AS OREXIN ANTAGONISTS HCRTR2, HCRTR1, HRH3 TAAR1 94/4885HTR1D 51/4885RIPK1 2014/4885
US-20080039476-A1 Pyrazolopyrimidines, a process for their preparation and their use as medicine GRM5, GRM3, GRM1 TAAR1 386/4885HTR1D 57/4885RIPK1 2577/4885

“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.