SCHEMBL16366757

SCHEMBL16366757

CCCc1cncc(C2=CCCC2)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.40
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
PSMB5 P28074 3/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
HDAC1 Q13547 2/20 0.33
HDAC2 Q92769 2/20 0.33
PPARA Q07869 1/20 0.33
HDAC3 O15379 1/20 0.33
PIM1 P11309 1/20 0.32
ACMSD Q8TDX5 1/20 0.31
CYP11B2 P19099 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
SCHEMBL16135140 0.87 HTR1A (0.41) HTR1APDGFRBPDGFRAPSMB5CHRNB2
SCHEMBL17820514 0.81 CYP2A6 (0.42) HTR1APDGFRBPDGFRAPSMB5PRMT5
SCHEMBL16133341 0.80 HTR1A (0.39) HTR1APDGFRBPDGFRAPSMB5PPARA
SCHEMBL13778365 0.75 PSMB5 (0.48) HTR1APDGFRBPDGFRAPSMB5PPARA
SCHEMBL32661133 0.72 PSMB5 (0.38) HTR1APDGFRBPDGFRAPSMB5HDAC1
SCHEMBL3728063 0.71 PDGFRB (0.41) HTR1APDGFRBPDGFRAPSMB5CHRNB2
SCHEMBL32661412 0.71 PSMB5 (0.38) HTR1APSMB5HDAC1HDAC2ACMSD
SCHEMBL32661309 0.71 PSMB5 (0.38) HTR1APSMB5HDAC1HDAC2ACMSD
SCHEMBL16390248 0.71 NOS1 (0.42) CHRNB2CHRNA4PRMT5WDR77
SCHEMBL13778361 0.70 PSMB5 (0.54) PDGFRBPDGFRAPSMB5ACMSDCYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150232448-A1 6-PIPERAZINYL-3,4-DIHYDROQUINAZOLIN-2(1H)-ONES KING ABDULAZIZ CITY FOR SCIENCE AND TECHNOLOGY (SA) 2015-08-20 US disclosed
US-8916704-B1 Dihydroquinone derivatives of piperidine and piperazine KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2014-12-23 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-20150232448-A1 6-PIPERAZINYL-3,4-DIHYDROQUINAZOLIN-2(1H)-ONES HTR2C, HTR2A, HTR1B HTR1A 6/4885PDGFRB 209/4885PDGFRA 145/4885

“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.