SCHEMBL742411

SCHEMBL742411

COc1ccc2c(c1)CCC21COCC(CN)N1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.42
ADRA2A P08913 3/20 0.38
ADRB2 P07550 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2B P18089 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2C P28335 1/20 0.38
HRH1 P35367 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRK1 P41145 1/20 0.38
HTR2B P41595 1/20 0.38
HTR5A P47898 1/20 0.38
SLC6A3 Q01959 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
CYP2C19 P33261 1/20 0.37
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
HTR2A P28223 2/20 0.34
AR P10275 2/20 0.34
BACE1 P56817 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
SCHEMBL3464559 0.81 KDM1A (0.46) KDM1AADRA2AADRB2HTR1AADRA2B
SCHEMBL742452 0.80 KDM1A (0.39) KDM1AADRA2AADRB2HTR1AADRA2B
SCHEMBL743822 0.71 ADRA2A (0.43) KDM1AADRA2ACYP2C19ARBACE1
SCHEMBL730104 0.69 CHRNA1 (0.42) SLC6A2HTR2CSLC6A3BACE1
SCHEMBL28465895 0.67 KDM1A (0.48) KDM1AADRA2AHTR2CHTR2BCYP2C19
SCHEMBL12311978 0.65 KDM1A (0.43) KDM1AADRA2AHTR2CHTR2BDRD2
SCHEMBL743696 0.65 CYP2C19 (0.35) KDM1AADRA2ACYP2C19ARBACE1
SCHEMBL3465309 0.65 KDM1A (0.43) KDM1AADRA2ACYP2C19DRD2DRD3
SCHEMBL3465090 0.64 PDE7A (0.53) KDM1AADRA2ACYP2C19AR
SCHEMBL1495858 0.64 KDM1A (0.53) KDM1AADRA2AADRB2HTR1AADRA2B

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 KDM1A 3697/4885ADRA2A 138/4885ADRB2 92/4885

“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.