SCHEMBL7004091

SCHEMBL7004091

CNCCNCCc1ccccn1

nearest known ligand 0.79

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.79
LMNA P02545 2/20 0.77
ALDH1A1 P00352 2/20 0.77
TAAR1 Q96RJ0 1/20 0.77
ALOX15 P16050 1/20 0.77
TDP1 Q9NUW8 1/20 0.66
CYP1A2 P05177 3/20 0.63
CYP2C19 P33261 1/20 0.63
CYP2D6 P10635 1/20 0.53
APP P05067 2/20 0.50
CHRM2 P08172 1/20 0.50
DPP7 Q9UHL4 1/20 0.49
HRH1 P35367 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL23053146 0.91 CYP1A2 (0.69) HRH3LMNAALDH1A1TAAR1ALOX15
Betahistine SCHEMBL28346535 0.89 HRH3 (1.00) HRH3LMNAALDH1A1TAAR1ALOX15
Betahistine SCHEMBL29354603 0.89 HRH3 (1.00) HRH3LMNAALDH1A1TAAR1ALOX15
Betahistine SCHEMBL125582 0.89 HRH3 (1.00) HRH3LMNAALDH1A1TAAR1ALOX15
SCHEMBL1921574 0.89 HRH3 (0.70) HRH3LMNAALDH1A1TAAR1ALOX15
Betahistine SCHEMBL20421889 0.87 HRH3 (0.96) HRH3LMNAALDH1A1TAAR1ALOX15
Betahistine SCHEMBL60646 0.87 LMNA (1.00) HRH3LMNAALDH1A1TAAR1ALOX15
Betahistine SCHEMBL20421886 0.87 HRH3 (0.96) HRH3LMNAALDH1A1TAAR1ALOX15
Betahistine SCHEMBL20639365 0.87 HRH3 (0.96) HRH3LMNAALDH1A1TAAR1ALOX15
Betahistine SCHEMBL654358 0.87 LMNA (1.00) HRH3LMNAALDH1A1TAAR1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183234-B2 Tricyclic guanidine derivatives as sodium-proton exchange inhibitors PIRAMAL LIFE SCIENCES LIMITED (IN) 2012-05-22 US disclosed
US-8183234-B2 Tricyclic guanidine derivatives as sodium-proton exchange inhibitors PIRAMAL LIFE SCIENCES LIMITED (IN) 2012-05-22 US disclosed
US-7834001-B2 N-(10,10-Dioxo-10,11-dihydro-5-oxa-10-lambda*6*-thia-dibenzo[a.d]cycloheptene-8-carbonyl)-guanidine; tumor necrosis factor inhibitors; sodium-proton exchange inhibitors for treatment of organ disorders associated with ischemia and reperfusion, cardiac arrhythmia, cardiac hypertrophy PIRAMAL LIFE SCIENCES LIMITED (IN) 2010-11-16 US disclosed
US-7834001-B2 N-(10,10-Dioxo-10,11-dihydro-5-oxa-10-lambda*6*-thia-dibenzo[a.d]cycloheptene-8-carbonyl)-guanidine; tumor necrosis factor inhibitors; sodium-proton exchange inhibitors for treatment of organ disorders associated with ischemia and reperfusion, cardiac arrhythmia, cardiac hypertrophy PIRAMAL LIFE SCIENCES LIMITED (IN) 2010-11-16 US disclosed
US-20100267690-A1 TRICYCLIC GUANIDINE DERIVATIVES AS SODIUM-PROTON EXCHANGE INHIBITORS PIRAMAL LIFE SCIENCES LIMITED (IN) 2010-10-21 US disclosed
US-20100267690-A1 TRICYCLIC GUANIDINE DERIVATIVES AS SODIUM-PROTON EXCHANGE INHIBITORS PIRAMAL LIFE SCIENCES LIMITED (IN) 2010-10-21 US disclosed
US-20070299051-A1 Tricyclic Guanidine Derivatives as Sodium-Proton Exchange Inhibitors NICHOLAS PIRAMAL INDIA LIMITED. (IN) 2007-12-27 US disclosed
US-20070299051-A1 Tricyclic Guanidine Derivatives as Sodium-Proton Exchange Inhibitors NICHOLAS PIRAMAL INDIA LIMITED. (IN) 2007-12-27 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 (2 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-20100267690-A1 TRICYCLIC GUANIDINE DERIVATIVES AS SODIUM-PROTON EXCHANGE INHIBITORS ATP2A1, ATP2A3, KCNN4 HRH3 69/4885LMNA 1520/4885ALDH1A1 1222/4885
US-20070299051-A1 Tricyclic Guanidine Derivatives as Sodium-Proton Exchange Inhibitors ATP2A1, ATP2A3, KCNN4 HRH3 69/4885LMNA 1520/4885ALDH1A1 1222/4885

“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.