SCHEMBL700617

SCHEMBL700617

c1cc2c(cc1CNC1CC1)OCCO2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.57
MAOA P21397 3/20 0.57
MAOB P27338 3/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C19 P33261 1/20 0.57
HTT P42858 1/20 0.57
KCNH2 Q12809 3/20 0.50
ALDH1A1 P00352 2/20 0.48
CHRM2 P08172 1/20 0.47
CHRM4 P08173 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
SLC6A2 P23975 1/20 0.47
HRH2 P25021 1/20 0.47
SLC6A4 P31645 1/20 0.47
HRH1 P35367 1/20 0.47
DRD3 P35462 1/20 0.47
HTR5A P47898 1/20 0.47
GAA P10253 1/20 0.45

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 SCHEMBL11689115 0.91 HRH3 (0.54) KDM1AMAOAMAOBCYP3A4CYP2D6
SCHEMBL622306 0.90 KCNH2 (0.49) KDM1AMAOAMAOBCYP3A4CYP2D6
SCHEMBL622308 0.90 KCNH2 (0.49) KDM1AMAOAMAOBCYP3A4CYP2D6
SCHEMBL2472951 0.90 CYP3A4 (0.64) KDM1AMAOAMAOBCYP3A4CYP2D6
SCHEMBL108056 0.90 CYP3A4 (0.64) KDM1AMAOAMAOBCYP3A4CYP2D6
SCHEMBL14020819 0.89 KDM1A (0.51) KDM1AMAOAMAOBCYP3A4CYP2D6
SCHEMBL5261735 0.87 LTA4H (0.57) KDM1AMAOAMAOBCYP3A4CYP2D6
SCHEMBL5261729 0.87 LTA4H (0.57) KDM1AMAOAMAOBCYP3A4CYP2D6
SCHEMBL3689421 0.84 CYP3A4 (0.47) KDM1AMAOAMAOBCYP3A4CYP2D6
SCHEMBL622080 0.84 KCNH2 (0.57) KDM1AMAOAMAOBCYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120115907-A1 NOVEL COMPOUNDS AS INHIBITORS OF RENIN CADILA HEALTHCARE LIMITED (IN) 2012-05-10 US disclosed
EP-2421828-A2 PIPERIDINE DERIVATIVES AS INHIBITORS OF RENIN Cadila Healthcare Limited (IN) 2012-02-29 EP disclosed
WO-2010122580-A2 NOVEL COMPOUNDS AS INHIBITORS OF RENIN CADILA HEALTHCARE LIMITED (IN) 2010-10-28 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-20120115907-A1 NOVEL COMPOUNDS AS INHIBITORS OF RENIN REN, ACE, AGTR1 KDM1A 3777/4885MAOA 289/4885MAOB 330/4885

“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.