SCHEMBL3153996

SCHEMBL3153996

Cc1cccc(N2CCN(CCN)CC2)n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 3/20 0.66
HTR3B O95264 3/20 0.66
HTR3A P46098 3/20 0.66
HTR3D Q70Z44 3/20 0.66
HTR3C Q8WXA8 3/20 0.66
KCNH2 Q12809 2/20 0.64
HTR1A P08908 4/20 0.53
HTR2A P28223 4/20 0.53
DRD3 P35462 3/20 0.53
DRD4 P21917 1/20 0.52
NPC1 O15118 1/20 0.51
DPP4 P27487 1/20 0.49
HTR2C P28335 2/20 0.48
ALDH1A1 P00352 3/20 0.46
MAPT P10636 3/20 0.46
KDM4E B2RXH2 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 1/20 0.46

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
SCHEMBL6525545 0.90 KCNH2 (0.71) HTR3EHTR3BHTR3AHTR3DHTR3C
Hydrochloric Acid SCHEMBL6526782 0.88 KCNH2 (0.70) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL25695217 0.82 HTR3E (0.67) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL13711981 0.82 KCNH2 (0.87) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL14761172 0.81 DRD2 (0.50) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL6525544 0.80 KCNH2 (0.63) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL2127461 0.80 HTR3A (1.00) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL4519830 0.79 KCNH2 (1.00) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL13711976 0.79 KCNH2 (0.88) HTR3EHTR3BHTR3AHTR3DHTR3C
Ammonia Solution, Strong SCHEMBL28472249 0.78 HTR3A (0.96) HTR3EHTR3BHTR3AHTR3DHTR3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2074083-B1 NEW SULFONAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS RICHTER GEDEON NYRT (HU) 2013-06-19 EP disclosed
CN-101528681-B New sulfonamide derivatives as bradykinin antagonists RITCHER GEDEON NYRT 2013-01-30 CN disclosed
US-20100075978-A1 SULFONAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS RICHTER GEDEON NYRT. (HU) 2010-03-25 US disclosed
CN-101528681-A New sulfonamide derivatives as bradykinin antagonists RITCHER GEDEON NYRT (HU) 2009-09-09 CN disclosed
EP-2074083-A1 NEW SULFONAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS Richter Gedeon NYRT (HU) 2009-07-01 EP disclosed
WO-2008050168-A1 NEW SULFONAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS RICHTER GEDEON NYRT. (HU) 2008-05-02 WO 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-20100075978-A1 SULFONAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS BDKRB1, BDKRB2, TRPV1 HTR3E 834/4885HTR3B 882/4885HTR3A 911/4885

“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.