SCHEMBL18540667

SCHEMBL18540667

CCc1cn(C)c2ccc(F)c(F)c12

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 2/20 0.35
HTR2A P28223 6/20 0.35
HTR2C P28335 4/20 0.35
HTR2B P41595 3/20 0.35
KCNH2 Q12809 1/20 0.35
HTR1D P28221 2/20 0.35
HTR1A P08908 1/20 0.35
ALDH1A1 P00352 2/20 0.33
ADRB2 P07550 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HTR6 P50406 1/20 0.32
NOS3 P29474 1/20 0.32
NOS2 P35228 1/20 0.32
MAPT P10636 1/20 0.32
PTPN5 P54829 1/20 0.31
BRD9 Q9H8M2 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
SCHEMBL12596196 0.82 ADRB2 (0.38) GPR84HTR2AHTR2CHTR2BKCNH2
SCHEMBL16629844 0.82 PSEN1 (0.45) GPR84HTR2AHTR2CHTR2BHTR1D
SCHEMBL18540622 0.75 HTR2A (0.34) HTR2AHTR2CHTR1DHTR1AALDH1A1
SCHEMBL18552937 0.73 HTR2A (0.33) HTR2AALDH1A1KDM4EHTR6
SCHEMBL18538038 0.70 HTR1D (0.33) HTR2AHTR1DALDH1A1KDM4EHTR6
SCHEMBL18540670 0.70 KCNH2 (0.35) HTR2AKCNH2ALDH1A1KDM4EHTR6
SCHEMBL4552632 0.70 CMA1 (0.52) GPR84HTR2AHTR2CHTR2B
SCHEMBL18508879 0.69 KDM4E (0.58) GPR84KCNH2HTR1DALDH1A1ADRB2
SCHEMBL18508855 0.69 HTR2C (0.44) GPR84HTR2AHTR2CHTR2BALDH1A1
SCHEMBL16160379 0.68 CMA1 (0.33) GPR84HTR2AHTR2CHTR2B

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-20170050980-A1 OXADIAZINE COMPOUNDS AND METHODS OF USE THEREOF DENALI THERAPEUTICS, INC. 2017-02-23 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-20170050980-A1 OXADIAZINE COMPOUNDS AND METHODS OF USE THEREOF PSEN2, SMN1; SMN2, OTC GPR84 3472/4885HTR2A 189/4885HTR2C 215/4885

“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.