SCHEMBL16634136

SCHEMBL16634136

COc1ccccc1N1CCN(CCCC(C)Nc2cccc(C#N)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.52
DRD3 P35462 8/20 0.52
DRD4 P21917 7/20 0.52
HTR1A P08908 7/20 0.51
HTR7 P34969 5/20 0.51
PDE4B Q07343 1/20 0.51
HTR2A P28223 1/20 0.49
MEN1 O00255 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL16633469 0.84 DRD2 (0.59) DRD2DRD3DRD4HTR1AHTR7
SCHEMBL16633483 0.83 DRD2 (0.59) DRD2DRD3DRD4HTR1AHTR7
SCHEMBL15326104 0.76 DRD2 (0.54) DRD2DRD3DRD4HTR1AHTR7
SCHEMBL948083 0.74 DRD2 (0.71) DRD2DRD3HTR1AHTR7HTR2A
SCHEMBL30080790 0.74 DRD2 (0.71) DRD2DRD3HTR1AHTR7HTR2A
SCHEMBL15326141 0.74 DRD2 (0.55) DRD2DRD3DRD4HTR1AHTR7
SCHEMBL7424054 0.74 DRD4 (0.69) DRD2DRD3DRD4HTR7KMT2A
SCHEMBL6954563 0.73 HTR1A (0.71) DRD2DRD3HTR1AHTR7HTR2A
SCHEMBL15326093 0.73 DRD2 (0.52) DRD2DRD3DRD4HTR1AHTR7
SCHEMBL6526368 0.73 DRD2 (0.85) DRD2DRD3HTR1AHTR7HTR2A

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 4 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
US-9238632-B2 3-cyanoanilinoalkylarylpiperazine derivative and use thereof in preparing drugs NHWA Pharma, Corporation (CN) 2016-01-19 US disclosed
US-20150105399-A1 3-CYANOANILINOALKYLARYLPIPERAZINE DERIVATIVE AND USE THEREOF IN PREPARING DRUGS SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) 2015-04-16 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-20150105399-A1 3-CYANOANILINOALKYLARYLPIPERAZINE DERIVATIVE AND USE THEREOF IN PREPARING DRUGS HTR5A, HTR3C, HTR3A DRD2 80/4885DRD3 57/4885DRD4 87/4885

“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.