SCHEMBL1011359

SCHEMBL1011359

c1cc2c(cc1N1CCOCC1)CCNC2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 3/20 0.59
IGF1R P08069 1/20 0.48
TMEM97 Q5BJF2 6/20 0.48
SIGMAR1 Q99720 6/20 0.48
ADRA2A P08913 2/20 0.48
ADRA2B P18089 2/20 0.48
DRD4 P21917 1/20 0.48
HRH1 P35367 1/20 0.48
HTR2B P41595 1/20 0.48
HTR2C P28335 1/20 0.46
DRD2 P14416 1/20 0.45
DRD3 P35462 1/20 0.45
ADRA2C P18825 1/20 0.45
LGMN Q99538 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HRH3 Q9Y5N1 1/20 0.42
PNMT P11086 1/20 0.42
CD44 P16070 1/20 0.42

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
SCHEMBL31083767 1.00 ASIC3 (0.59) ASIC3IGF1RTMEM97SIGMAR1ADRA2A
SCHEMBL1010536 0.94 IGF1R (0.54) ASIC3IGF1RTMEM97SIGMAR1ADRA2A
SCHEMBL329754 0.87 TMEM97 (0.49) ASIC3TMEM97SIGMAR1ADRA2AADRA2B
Hydrochloric Acid SCHEMBL2806639 0.85 TMEM97 (0.48) ASIC3TMEM97SIGMAR1ADRA2AADRA2B
SCHEMBL25406974 0.84 ASIC3 (0.58) ASIC3ADRA2AADRA2BHTR2BHTR2C
SCHEMBL21800281 0.83 ASIC3 (0.78) ASIC3DRD2DRD3ADRA2CHRH3
Hydrochloric Acid SCHEMBL30785599 0.82 ASIC3 (0.53) ASIC3ADRA2AADRA2BDRD2DRD3
SCHEMBL25405563 0.80 ASIC3 (0.55) ASIC3ADRA2AADRA2BDRD2DRD3
SCHEMBL25404976 0.79 ASIC3 (0.53) ASIC3ADRA2AADRA2BDRD2DRD3
SCHEMBL3277721 0.79 SLC6A2 (0.42) ASIC3IGF1RTMEM97SIGMAR1ADRA2A

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
WO-2023174383-A1 DIHYDROISOQUINOLINE COMPOUND AND MEDICAL USE THEREOF 中国科学院上海药物研究所 2023-09-21 WO disclosed
EP-3002278-B1 GUANIDINE COMPOUND ASTELLAS PHARMA INC (JP) 2017-04-19 EP disclosed
US-9556160-B2 Guanidine compound ASTELLAS PHARMA INC. (JP) 2017-01-31 US disclosed
US-9556160-B2 Guanidine compound ASTELLAS PHARMA INC. (JP) 2017-01-31 US disclosed
EP-2695881-B1 GUANIDINE COMPOUND ASTELLAS PHARMA INC (JP) 2016-04-27 EP disclosed
EP-3002278-A1 GUANIDINE COMPOUND Astellas Pharma Inc. (JP) 2016-04-06 EP disclosed
US-20150203480-A1 GUANIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2015-07-23 US disclosed
US-20150203480-A1 GUANIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2015-07-23 US disclosed
US-9051283-B2 Guanidine compound ASTELLAS PHARMA INC. (JP) 2015-06-09 US disclosed
US-9051283-B2 Guanidine compound ASTELLAS PHARMA INC. (JP) 2015-06-09 US disclosed
WO-2012124696-A1 GUANIDINE COMPOUND アステラス製薬株式会社 (JP) 2012-09-20 WO disclosed
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-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
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 (3 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 ASIC3 1002/4885IGF1R 3412/4885TMEM97 1498/4885
US-20080039458-A1 Substituted pyrazolopyrimidines, a process for their preparation and their use as medicine GRM5, GRM1, GRM3 ASIC3 923/4885IGF1R 3100/4885TMEM97 1183/4885
US-20150203480-A1 GUANIDINE COMPOUND GUCY1A1, VAPA, VAPB ASIC3 1213/4885IGF1R 1935/4885TMEM97 1586/4885

“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.