SCHEMBL16633179

SCHEMBL16633179

COc1cncnc1N1CCN(CCCNc2cccc(C#N)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
PDGFRB P09619 6/20 0.43
KIT P10721 2/20 0.43
SLC2A1 P11166 1/20 0.43
SLC2A3 P11169 1/20 0.43
HTR7 P34969 3/20 0.42
DRD2 P14416 2/20 0.42
DRD3 P35462 1/20 0.42
HTR1A P08908 1/20 0.42
HTR2A P28223 1/20 0.42
CYP1A2 P05177 3/20 0.41
CYP3A4 P08684 3/20 0.41
CYP2D6 P10635 3/20 0.41
CYP2C19 P33261 3/20 0.41
FLT3 P36888 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL15326101 0.81 HTR7 (0.43) MEN1KMT2APDGFRBKITSLC2A1
SCHEMBL16633469 0.81 DRD2 (0.59) HTR7DRD2DRD3HTR1AHTR2A
SCHEMBL16633177 0.79 MEN1 (0.44) MEN1KMT2APDGFRBKITSLC2A1
SCHEMBL16633483 0.78 DRD2 (0.59) HTR7DRD2DRD3HTR1AHTR2A
SCHEMBL13499598 0.77 DRD2 (0.51) HTR7DRD2DRD3HTR2A
SCHEMBL6999464 0.76 HTR7 (0.41) MEN1KMT2APDGFRBKITSLC2A1
Hydrochloric Acid SCHEMBL6990810 0.75 SLC2A1 (0.41) MEN1KMT2APDGFRBKITSLC2A1
SCHEMBL4347759 0.74 HTR1A (0.67) HTR1A
SCHEMBL6995702 0.73 HTR7 (0.44) MEN1KMT2APDGFRBKITSLC2A1
SCHEMBL6999138 0.73 HTR7 (0.42) PDGFRBKITSLC2A1SLC2A3HTR7

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-9238632-B2 3-cyanoanilinoalkylarylpiperazine derivative and use thereof in preparing drugs NHWA Pharma, Corporation (CN) 2016-01-19 US claimed
US-20150105399-A1 3-CYANOANILINOALKYLARYLPIPERAZINE DERIVATIVE AND USE THEREOF IN PREPARING DRUGS SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) 2015-04-16 US claimed

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-20150105399-A1 3-CYANOANILINOALKYLARYLPIPERAZINE DERIVATIVE AND USE THEREOF IN PREPARING DRUGS HTR5A, HTR3C, HTR3A MEN1 4735/4885KMT2A 1410/4885PDGFRB 2800/4885

“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.