SCHEMBL8024335

SCHEMBL8024335

Cc1ccc2n1CCN(C)C2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 4/20 0.37
KDM4E B2RXH2 3/20 0.36
MEN1 O00255 3/20 0.36
MAPT P10636 3/20 0.36
KMT2A Q03164 3/20 0.36
ALOX15 P16050 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
AGER Q15109 1/20 0.36
ESR2 Q92731 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAOA P21397 2/20 0.34
MAOB P27338 2/20 0.34
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL8027397 0.77 MAOA (0.38) DRD3KDM4EMAOAMAOBHTR2A
SCHEMBL25091071 0.74 MC4R (0.35) DRD3MAOAMAOBHTR2AHTR2C
SCHEMBL8030274 0.72 DRD3 (0.42) DRD3MAOAMAOBHTR2AHTR2C
SCHEMBL12559520 0.72 ACHE (0.43) DRD3MAOAMAOBHTR2AHTR2C
SCHEMBL25121973 0.70 HRH4 (0.30)
SCHEMBL11923502 0.69 MAOA (0.35) DRD3KDM4EMAPTKMT2AALOX15
SCHEMBL8025808 0.67 HTR6 (0.40) KDM4EDRD2
SCHEMBL8011487 0.67 ALDH1A1 (0.38) KDM4EMEN1MAPTKMT2AALOX15
SCHEMBL8028549 0.67 NR1H2 (0.41) MEN1MAPTKMT2AALDH1A1
SCHEMBL26386192 0.67 MMP2 (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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220402915-A1 BCL-2 INHIBITORS BEONE MEDICINES I GMBH (CH) 2022-12-22 US disclosed
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
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
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

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-20220402915-A1 BCL-2 INHIBITORS BCL2, BCL2L1, BCL2L2 DRD3 4706/4885KDM4E 3263/4885MEN1 3803/4885
US-20110003820-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE GRM5, GRIK5, GRK5 DRD3 1009/4885KDM4E 1667/4885MEN1 4030/4885

“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.