SCHEMBL13711981

SCHEMBL13711981

Cc1cccc(N2CCN(CCN3CCN(c4ccccc4)CC3)CC2)n1

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.87
HTR3E A5X5Y0 1/20 0.62
HTR3B O95264 1/20 0.62
HTR3A P46098 1/20 0.62
HTR3D Q70Z44 1/20 0.62
HTR3C Q8WXA8 1/20 0.62
HTR1A P08908 3/20 0.57
HTR2A P28223 2/20 0.57
DRD3 P35462 1/20 0.57
DRD2 P14416 2/20 0.55
SIGMAR1 Q99720 1/20 0.55
DRD4 P21917 1/20 0.53
CHRNA7 P36544 1/20 0.50
NPC1 O15118 1/20 0.49
MAPT P10636 3/20 0.49
KDM4E B2RXH2 2/20 0.49
GFER P55789 1/20 0.49
LMNA P02545 1/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49

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
SCHEMBL4519830 0.93 KCNH2 (1.00) KCNH2HTR3EHTR3BHTR3AHTR3D
SCHEMBL13711976 0.87 KCNH2 (0.88) KCNH2HTR3EHTR3BHTR3AHTR3D
SCHEMBL3153996 0.82 HTR3E (0.66) KCNH2HTR3EHTR3BHTR3AHTR3D
SCHEMBL4521524 0.81 KCNH2 (1.00) KCNH2HTR3EHTR3BHTR3AHTR3D
SCHEMBL25695217 0.80 HTR3E (0.67) KCNH2HTR3EHTR3BHTR3AHTR3D
SCHEMBL1907440 0.79 KCNH2 (0.64) KCNH2HTR3EHTR3BHTR3AHTR3D
SCHEMBL9041083 0.79 KCNH2 (0.80) KCNH2HTR1AHTR2ADRD3DRD2
SCHEMBL6525545 0.78 KCNH2 (0.71) KCNH2HTR3EHTR3BHTR3AHTR3D
SCHEMBL2127461 0.77 HTR3A (1.00) KCNH2HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL6526782 0.77 KCNH2 (0.70) KCNH2HTR3EHTR3BHTR3AHTR3D

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 KCNH2 769/4885HTR3E 9/4885HTR3B 6/4885

“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.