SCHEMBL189270

SCHEMBL189270

CN(C)C1CN(c2cc[c]cc2)C1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.37
HTR3A P46098 1/20 0.35
MCHR1 Q99705 8/20 0.35
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
MAP4K4 O95819 1/20 0.32
RORC P51449 2/20 0.32
DRD2 P14416 1/20 0.31
DRD3 P35462 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL188978 0.87 MCHR1 (0.46) HRH3MCHR1MAP4K4RORCKCNH2
SCHEMBL5545660 0.82 L3MBTL3 (0.43) MCHR1RORCKCNH2
SCHEMBL30493024 0.79 DDB1 (0.49) HRH3HTR3AMCHR1DDB1CRBN
SCHEMBL24123779 0.78 ADRB1 (0.44) HRH3MCHR1DDB1CRBN
SCHEMBL30206343 0.76 MCHR1 (0.37) HRH3HTR3AMCHR1DDB1CRBN
SCHEMBL12499527 0.76 HRH3 (0.37) HRH3HTR3AMCHR1DDB1CRBN
SCHEMBL189433 0.76 MAPT (0.47) HRH3MCHR1DDB1CRBNMAP4K4
SCHEMBL25675637 0.73 ACACB (0.39) HRH3MCHR1
SCHEMBL24123763 0.73 HRH3 (0.42) HRH3RORC
SCHEMBL1026918 0.72 BPTF (0.32)

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2213673-B1 PYRIDONE-SUBSTITUTED-DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE MSD KK (JP) 2013-06-05 EP disclosed
US-8329711-B2 Pyridone-substituted-dihydropyrazolopyrimidinone derivative MSD K.K. (JP) 2012-12-11 US disclosed
US-8288396-B2 Pyrimidopyrimidoindazole derivative MSDKK (JP) 2012-10-16 US disclosed
US-20120134955-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE MSD K.K. (JP) 2012-05-31 US disclosed
EP-2401281-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE MSD K.K. (JP) 2012-01-04 EP disclosed
US-20100221211-A1 PYRIDONE-SUBSTITUTED-DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE MSD K.K. (JP) 2010-09-02 US disclosed
WO-2010098367-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-09-02 WO disclosed
EP-2213673-A1 PYRIDONE-SUBSTITUTED-DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE Banyu Pharmaceutical Co., Ltd. (JP) 2010-08-04 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 (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-20100221211-A1 PYRIDONE-SUBSTITUTED-DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE WEE1, WEE2, CCNE1 HRH3 496/4885HTR3A 2154/4885MCHR1 1599/4885
US-20120134955-A1 PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE WEE1, WEE2, DCK HRH3 1505/4885HTR3A 3535/4885MCHR1 3039/4885

“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.