SCHEMBL731400

SCHEMBL731400

COc1ccc2c(c1)CCC2(N)CO

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.49
ADRA2A P08913 3/20 0.47
SLC6A2 P23975 2/20 0.47
SLC6A3 Q01959 2/20 0.47
ADRB2 P07550 1/20 0.47
HTR1A P08908 1/20 0.47
ADRA2B P18089 1/20 0.47
HTR2C P28335 1/20 0.47
HRH1 P35367 1/20 0.47
OPRM1 P35372 1/20 0.47
OPRK1 P41145 1/20 0.47
HTR2B P41595 1/20 0.47
HTR5A P47898 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
CYP2C19 P33261 2/20 0.45
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
DRD2 P14416 2/20 0.41
DRD3 P35462 2/20 0.41

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
SCHEMBL4044850 0.91 KDM1A (0.57) KDM1AADRA2ASLC6A2SLC6A3ADRB2
SCHEMBL18793785 0.89 CYP3A4 (0.49) KDM1AADRA2ASLC6A2SLC6A3ADRB2
SCHEMBL29337389 0.89 CYP3A4 (0.49) KDM1AADRA2ASLC6A2SLC6A3ADRB2
SCHEMBL18793793 0.89 CYP3A4 (0.49) KDM1AADRA2ASLC6A2SLC6A3ADRB2
SCHEMBL13477077 0.80 SMN1; SMN2 (0.57) ADRA2ASLC6A2SLC6A3ADRB2HTR1A
SCHEMBL23976820 0.76 KDM1A (0.41) KDM1ACYP2C19
SCHEMBL23291576 0.76 KDM1A (0.41) KDM1ACYP2C19
SCHEMBL30060625 0.76 KDM1A (0.41) KDM1ACYP2C19
SCHEMBL23961494 0.76 KDM1A (0.41) KDM1ACYP2C19
SCHEMBL29801698 0.76 KDM1A (0.41) KDM1ACYP2C19

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
EP-2010540-B1 SPIRO-IMIDAZO COMPOUNDS NOVARTIS AG (CH) 2012-12-05 EP 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
EP-2010540-A1 SPIRO-IMIDAZO COMPOUNDS Speedel Experimenta AG (CH) 2009-01-07 EP 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 138/4885SLC6A2 1947/4885

“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.