SCHEMBL5120102

SCHEMBL5120102

CC1CC(c2cccc(C(F)(F)F)c2)=CCN1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.57
SCN2A Q99250 2/20 0.41
HRH1 P35367 1/20 0.41
HRH4 Q9H3N8 1/20 0.41
KDM1A O60341 2/20 0.40
HTR1A P08908 1/20 0.40
HTR7 P34969 1/20 0.40
PARP10 Q53GL7 1/20 0.39
PARP11 Q9NR21 1/20 0.39
IDO1 P14902 1/20 0.39
IKBKB O14920 1/20 0.39
ASIC3 Q9UHC3 1/20 0.39
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL9020731 0.83 HTR2C (0.52) HTR2CSCN2AHRH1HRH4KDM1A
SCHEMBL5120222 0.81 HTR2C (0.38) HTR2CKDM1A
SCHEMBL4790156 0.80 NISCH (0.37) HTR2CHTR1AHTR7PARP10PARP11
SCHEMBL4790258 0.78 NISCH (0.46) HTR2CPARP10PARP11IDO1
SCHEMBL7435086 0.78 HTR2C (0.49) HTR2CSCN2AHRH1HRH4
SCHEMBL4789903 0.77 ADRA2A (0.41) HTR2CHRH1HRH4IDO1IKBKB
SCHEMBL4790265 0.77 HTR2C (0.54) HTR2CSCN2AHRH1PARP10PARP11
SCHEMBL9767635 0.77 HTR2C (0.43) HTR2CSCN2AKDM1A
SCHEMBL8543167 0.76 HTR2C (0.44) HTR2CSCN2AHRH1HRH4KDM1A
SCHEMBL9530357 0.76 HTR2C (0.47) HTR2CSCN2AHRH1HRH4KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080032998-A1 Pyrazolopyrimidines, a process for their preparation and their use as medicine MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-07 US 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-20080032998-A1 Pyrazolopyrimidines, a process for their preparation and their use as medicine GRM5, GRM1, GRIK5 HTR2C 222/4885SCN2A 2974/4885HRH1 72/4885

“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.