SCHEMBL16633469

SCHEMBL16633469

COc1ccccc1N1CCN(CCCNc2cccc(C#N)c2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 12/20 0.59
DRD3 P35462 9/20 0.59
HTR1A P08908 5/20 0.59
ADRA1A P35348 3/20 0.59
MAPT P10636 2/20 0.59
CYP3A4 P08684 2/20 0.59
ADRA2A P08913 2/20 0.59
ADRA2B P18089 2/20 0.59
ADRA2C P18825 2/20 0.59
LMNA P02545 1/20 0.59
ADRB2 P07550 1/20 0.59
ADRB1 P08588 1/20 0.59
CYP2C9 P11712 1/20 0.59
TSHR P16473 1/20 0.59
MAPK1 P28482 1/20 0.59
SLC6A4 P31645 1/20 0.59
CYP2C19 P33261 1/20 0.59
HRH1 P35367 1/20 0.59
HTR2B P41595 1/20 0.59
PDE3A Q14432 1/20 0.59

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
SCHEMBL16633483 0.97 DRD2 (0.59) DRD2DRD3HTR1AADRA1AMAPT
SCHEMBL16634136 0.84 DRD2 (0.52) DRD2DRD3HTR1ACYP2C9CYP2C19
Hydrochloric Acid SCHEMBL11677902 0.84 SMN1; SMN2 (0.63) DRD2DRD3HTR1AADRA1AMAPT
SCHEMBL16633535 0.83 DRD2 (0.53) DRD2DRD3ADRA1ASLC6A4DRD4
SCHEMBL16634117 0.81 DRD2 (0.54) DRD2DRD3HTR1AADRA1ADRD4
SCHEMBL13499598 0.81 DRD2 (0.51) DRD2DRD3HTR2AHTR7
SCHEMBL16633179 0.81 MEN1 (0.45) DRD2DRD3HTR1ACYP3A4TSHR
SCHEMBL16633399 0.80 DRD2 (0.58) DRD2DRD3HTR1AADRA1AMAPT
SCHEMBL11679210 0.80 LMNA (0.66) DRD2DRD3HTR1AADRA1AMAPT
SCHEMBL3396554 0.80 HTR1A (0.62) DRD2DRD3HTR1AADRA1AMAPT

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 57/4885HTR1A 22/4885

“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.