SCHEMBL6525545

SCHEMBL6525545

Cc1cccc(N2CCN(CCCCN)CC2)n1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.71
HTR3E A5X5Y0 1/20 0.60
HTR3B O95264 1/20 0.60
HTR3A P46098 1/20 0.60
HTR3D Q70Z44 1/20 0.60
HTR3C Q8WXA8 1/20 0.60
HTR1A P08908 5/20 0.59
HTR2A P28223 4/20 0.59
DRD3 P35462 3/20 0.59
HTR2C P28335 2/20 0.53
DRD4 P21917 1/20 0.49
NPC1 O15118 1/20 0.48
CYP2D6 P10635 1/20 0.48
SIGMAR1 Q99720 1/20 0.47
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
L3MBTL1 Q9Y468 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
Hydrochloric Acid SCHEMBL6526782 0.99 KCNH2 (0.70) KCNH2HTR3EHTR3BHTR3AHTR3D
SCHEMBL3153996 0.90 HTR3E (0.66) KCNH2HTR3EHTR3BHTR3AHTR3D
SCHEMBL4519830 0.83 KCNH2 (1.00) KCNH2HTR3EHTR3BHTR3AHTR3D
SCHEMBL14761536 0.83 KCNH2 (0.50) KCNH2HTR3AHTR1AHTR2ADRD3
SCHEMBL6525544 0.82 KCNH2 (0.63) KCNH2HTR3EHTR3BHTR3AHTR3D
SCHEMBL4521524 0.80 KCNH2 (1.00) KCNH2HTR3EHTR3BHTR3AHTR3D
SCHEMBL25695217 0.79 HTR3E (0.67) KCNH2HTR3EHTR3BHTR3AHTR3D
SCHEMBL14761822 0.78 CYP2D6 (0.53) KCNH2HTR3AHTR1AHTR2ADRD3
SCHEMBL13711981 0.78 KCNH2 (0.87) KCNH2HTR3EHTR3BHTR3AHTR3D
SCHEMBL14761434 0.78 HTR1A (0.49) KCNH2HTR1AHTR2ADRD3CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110059019-A1 NOVEL ARYL PIPERAZINE DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE AND SEROTONIN RECEPTORS NEUROSEARCH A/S (DK) 2011-03-10 US claimed
US-20110059019-A1 NOVEL ARYL PIPERAZINE DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE AND SEROTONIN RECEPTORS NEUROSEARCH A/S (DK) 2011-03-10 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-20110059019-A1 NOVEL ARYL PIPERAZINE DERIVATIVES USEFUL AS MODULATORS OF DOPAMINE AND SEROTONIN RECEPTORS HTR3A, HTR2A, HTR5A KCNH2 828/4885HTR3E 10/4885HTR3B 7/4885

“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.