SCHEMBL16634117

SCHEMBL16634117

N#Cc1cccc(NCCCN2CCN(c3cccc(Cl)c3Cl)CC2)c1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 20/20 0.54
DRD3 P35462 14/20 0.54
DRD4 P21917 10/20 0.54
HTR1A P08908 4/20 0.54
HTR2A P28223 4/20 0.54
HTR7 P34969 4/20 0.54
HTR6 P50406 3/20 0.54
ADRA1A P35348 3/20 0.53
KCNH2 Q12809 1/20 0.51
HRH4 Q9H3N8 1/20 0.51
OPRM1 P35372 1/20 0.51

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
SCHEMBL16633520 0.97 DRD2 (0.59) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL16633535 0.83 DRD2 (0.53) DRD2DRD3DRD4HTR2AHTR7
SCHEMBL16633146 0.82 KCNH2 (0.58) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL16633469 0.81 DRD2 (0.59) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL3408350 0.81 DRD2 (0.62) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL13499598 0.81 DRD2 (0.51) DRD2DRD3HTR2AHTR7
SCHEMBL16633399 0.80 DRD2 (0.58) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL16634075 0.80 KCNH2 (0.62) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL29785698 0.80 DRD2 (0.64) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL16633483 0.78 DRD2 (0.59) DRD2DRD3DRD4HTR1AHTR2A

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.