SCHEMBL13711982

SCHEMBL13711982

c1ccc(N2CCN(CCN3CCN(c4cccc5ccccc45)CC3)CC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 4/20 0.60
HRH3 Q9Y5N1 2/20 0.60
KCNH2 Q12809 2/20 0.56
HTR1A P08908 8/20 0.55
DRD2 P14416 5/20 0.55
HTR2A P28223 4/20 0.55
HTR2C P28335 3/20 0.55
HTR7 P34969 3/20 0.54
DRD1 P21728 2/20 0.54
HTR3A P46098 2/20 0.54
ADRA1D P25100 1/20 0.54
ADRA1A P35348 1/20 0.54
ADRA1B P35368 1/20 0.54
SIGMAR1 Q99720 2/20 0.54
HTR3E A5X5Y0 1/20 0.53
HTR3B O95264 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
NCF1 P14598 1/20 0.53
TSHR P16473 1/20 0.53

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
SCHEMBL13711984 0.86 KCNH2 (0.62) DRD3KCNH2HTR1ADRD2HTR2A
SCHEMBL9283836 0.83 DRD2 (0.59) DRD3HTR1ADRD2HTR2AHTR2C
SCHEMBL9287528 0.83 HTR1A (0.55) DRD3HTR1ADRD2HTR2AHTR2C
SCHEMBL240727 0.83 HTR1A (0.55) DRD3HTR1ADRD2HTR2AHTR2C
SCHEMBL8149406 0.82 DRD2 (0.61) DRD3KCNH2HTR1ADRD2HTR2A
Hydrochloric Acid SCHEMBL9639052 0.81 DRD2 (0.57) DRD3HTR1ADRD2HTR2AHTR2C
SCHEMBL9041083 0.81 KCNH2 (0.80) DRD3KCNH2HTR1ADRD2HTR2A
SCHEMBL9643856 0.81 HTR1A (0.74) DRD3HTR1ADRD2HTR2AHTR2C
SCHEMBL9373235 0.81 SIGMAR1 (0.63) DRD3HTR1ADRD2HTR2AHTR2C
SCHEMBL5187310 0.80 HTR1A (0.60) DRD3KCNH2HTR1ADRD2HTR2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090238761-A1 Novel Aryl Piperazine Derivatives With Medical Utility UNIVERSITA DEGLI STUDI DI SIENA (IT) 2009-09-24 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-20090238761-A1 Novel Aryl Piperazine Derivatives With Medical Utility HTR2C, HTR2A, DRD2 DRD3 10/4885HRH3 331/4885KCNH2 769/4885

“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.