SCHEMBL743695

SCHEMBL743695

COc1ccc2c(c1)CCC21COCc2cncn21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 3/20 0.37
KDM1A O60341 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP11B2 P19099 5/20 0.34
SLC6A2 P23975 3/20 0.34
SLC6A3 Q01959 3/20 0.34
SLC6A4 P31645 2/20 0.34
CYP11B1 P15538 2/20 0.34
DRD2 P14416 1/20 0.33
DRD1 P21728 1/20 0.33
DRD5 P21918 1/20 0.33
DRD3 P35462 1/20 0.33
ADRB2 P07550 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2B P18089 1/20 0.33
HTR2C P28335 1/20 0.33
HRH1 P35367 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRK1 P41145 1/20 0.33
HTR2B P41595 1/20 0.33

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
SCHEMBL3463695 0.83 KDM1A (0.43) ADRA2AKDM1ACYP3A4CYP11B2SLC6A2
SCHEMBL733033 0.83 ESR1 (0.34) CYP11B2SLC6A2SLC6A3SLC6A4CYP19A1
SCHEMBL743616 0.81 TSHR (0.32) KDM1ACYP3A4SIGMAR1CYP19A1
SCHEMBL731872 0.80 CYP19A1 (0.42) KDM1ACYP11B2CYP11B1HRH1CYP19A1
SCHEMBL741381 0.74 CYP19A1 (0.48) KDM1ACYP11B2CYP11B1HRH1CYP19A1
SCHEMBL730886 0.70 MAOB (0.34) CYP3A4
SCHEMBL742409 0.68 ADRA2A (0.38) ADRA2AKDM1ACYP3A4SLC6A2SLC6A3
SCHEMBL3464420 0.68 CYP11B2 (0.35) KDM1ACYP11B2DRD2DRD1DRD5
SCHEMBL744237 0.68 CYP2C19 (0.36) KDM1ALMNAPARP1
SCHEMBL744235 0.67 ADRA2A (0.39) ADRA2AKDM1ACYP3A4SLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138179-B2 Spiro-imidazo compounds NOVARTIS AG (CH) 2012-03-20 US disclosed
US-8138179-B2 Spiro-imidazo compounds NOVARTIS AG (CH) 2012-03-20 US disclosed
US-20090192145-A1 Spiro-Imidazo Compounds SPEEDEL EXPERIMENTA AG (CH) 2009-07-30 US disclosed
US-20090192145-A1 Spiro-Imidazo Compounds SPEEDEL EXPERIMENTA AG (CH) 2009-07-30 US disclosed
WO-2007116098-A1 SPIRO-IMIDAZO COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2007-10-18 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-20090192145-A1 Spiro-Imidazo Compounds REN, NR3C2, AGTR1 ADRA2A 138/4885KDM1A 3697/4885CYP3A4 99/4885

“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.