SCHEMBL16633535

SCHEMBL16633535

Cc1cccc(N2CCN(CCCNc3cccc(C#N)c3)CC2)c1C

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.53
DRD3 P35462 3/20 0.53
ADRA1A P35348 2/20 0.53
DRD4 P21917 1/20 0.50
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 1/20 0.47
HTR2A P28223 7/20 0.47
HTR2C P28335 7/20 0.47
SLC6A4 P31645 7/20 0.47
HTR7 P34969 1/20 0.46
KCNH2 Q12809 1/20 0.45

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
SCHEMBL16633399 0.97 DRD2 (0.58) DRD2DRD3ADRA1ADRD4MEN1
SCHEMBL16633469 0.83 DRD2 (0.59) DRD2DRD3ADRA1ADRD4HTR2A
SCHEMBL16634117 0.83 DRD2 (0.54) DRD2DRD3ADRA1ADRD4HTR2A
SCHEMBL13499598 0.83 DRD2 (0.51) DRD2DRD3HTR2AHTR7
SCHEMBL16633483 0.81 DRD2 (0.59) DRD2DRD3ADRA1ADRD4HTR2A
SCHEMBL16633520 0.80 DRD2 (0.59) DRD2DRD3ADRA1ADRD4HTR2A
SCHEMBL29785732 0.80 DRD2 (0.54) DRD2DRD3DRD4MEN1ALDH1A1
SCHEMBL15326107 0.78 HTR7 (0.52) DRD2DRD3MEN1ALDH1A1KMT2A
SCHEMBL16633146 0.77 KCNH2 (0.58) DRD2DRD3DRD4KMT2AHTR2A
SCHEMBL12441085 0.76 MEN1 (0.60) DRD2DRD3ADRA1ADRD4MEN1

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 57/4885ADRA1A 111/4885

“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.