SCHEMBL6071077

SCHEMBL6071077

ClCCCN1CCN(c2ccc3ccc(Cl)cc3n2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 2/20 0.58
HTR3E A5X5Y0 1/20 0.58
HTR3B O95264 1/20 0.58
HTR3D Q70Z44 1/20 0.58
HTR3C Q8WXA8 1/20 0.58
HRH3 Q9Y5N1 4/20 0.58
HRH4 Q9H3N8 3/20 0.53
HTR1A P08908 4/20 0.53
DRD3 P35462 5/20 0.51
CYP3A4 P08684 1/20 0.51
CHRM1 P11229 1/20 0.51
OPRK1 P41145 1/20 0.51
PDE4D Q08499 1/20 0.51
KCNH2 Q12809 1/20 0.51
PDE3A Q14432 1/20 0.51
RAD52 P43351 1/20 0.49
DRD2 P14416 4/20 0.48
DRD4 P21917 4/20 0.48
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44

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
SCHEMBL647772 0.83 HTR1A (0.65) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL21154502 0.76 HTR3A (0.71) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL21154478 0.74 HTR3A (0.68) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL2914095 0.74 HTR3A (1.00) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL13648813 0.73 HRH3 (0.67) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL13648846 0.73 HRH3 (1.00) HTR3AHTR3EHTR3BHTR3DHTR3C
Hydrochloric Acid SCHEMBL3970692 0.72 HRH3 (0.65) HTR3AHTR3EHTR3BHTR3DHTR3C
Hydrochloric Acid SCHEMBL3971412 0.72 HRH3 (0.97) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL5179759 0.71 KDM4E (0.69) HRH3HTR1ADRD3DRD2DRD4
SCHEMBL14761284 0.70 DRD2 (0.48) HTR3AHTR3EHTR3BHTR3DHTR3C

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-20060270852-A1 PREPARATION OF BISQUINOLINE COMPOUNDS RANBAXY LABORATORIES LIMITED (IN) 2006-11-30 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-20060270852-A1 PREPARATION OF BISQUINOLINE COMPOUNDS NQO1, NQO2, SQLE HTR3A 3044/4885HTR3E 2253/4885HTR3B 1090/4885

“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.