SCHEMBL16633520

SCHEMBL16633520

N#Cc1cccc(NCCCCN2CCN(c3cccc(Cl)c3Cl)CC2)c1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 19/20 0.59
HTR1A P08908 4/20 0.59
HTR2A P28223 3/20 0.59
HTR7 P34969 3/20 0.59
HTR6 P50406 3/20 0.59
DRD3 P35462 16/20 0.58
DRD4 P21917 9/20 0.58
ADRA1A P35348 6/20 0.58
KCNH2 Q12809 2/20 0.55
HRH4 Q9H3N8 2/20 0.55
OPRM1 P35372 1/20 0.55
ADRA1D P25100 1/20 0.52
ADRA1B P35368 1/20 0.52

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
SCHEMBL16634117 0.97 DRD2 (0.54) DRD2HTR1AHTR2AHTR7HTR6
SCHEMBL16633399 0.83 DRD2 (0.58) DRD2HTR1AHTR2ADRD3DRD4
SCHEMBL16634075 0.83 KCNH2 (0.62) DRD2HTR1AHTR2AHTR7HTR6
SCHEMBL16633483 0.82 DRD2 (0.59) DRD2HTR1AHTR2AHTR7HTR6
SCHEMBL16633146 0.81 KCNH2 (0.58) DRD2HTR1AHTR2AHTR7HTR6
SCHEMBL16633535 0.80 DRD2 (0.53) DRD2HTR2AHTR7DRD3DRD4
SCHEMBL29785698 0.79 DRD2 (0.64) DRD2HTR1AHTR2ADRD3DRD4
SCHEMBL16633469 0.78 DRD2 (0.59) DRD2HTR1AHTR2AHTR7HTR6
SCHEMBL3417828 0.78 DRD2 (0.62) DRD2HTR1AHTR2AHTR7HTR6
SCHEMBL3408350 0.78 DRD2 (0.62) DRD2HTR1AHTR2AHTR7HTR6

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 80/4885HTR1A 22/4885HTR2A 18/4885

“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.