SCHEMBL3465090

SCHEMBL3465090

COc1ccc2c(c1)CCC21CCCC(=O)N1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 3/20 0.53
CYP2C19 P33261 1/20 0.49
KDM1A O60341 1/20 0.48
PARP1 P09874 1/20 0.44
PARP2 Q9UGN5 1/20 0.44
ADRA2A P08913 2/20 0.42
GAA P10253 1/20 0.42
AR P10275 2/20 0.40
CHRNA7 P36544 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40

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
SCHEMBL743822 0.81 ADRA2A (0.43) PDE7ACYP2C19KDM1AADRA2AAR
SCHEMBL3465028 0.80 PDE7A (0.49) PDE7ACYP2C19KDM1AMEN1KMT2A
SCHEMBL28465895 0.79 KDM1A (0.48) PDE7ACYP2C19KDM1AADRA2ACHRNA7
SCHEMBL3465025 0.78 PDE7A (0.43) PDE7ACYP2C19KDM1AADRA2AGAA
SCHEMBL3465027 0.78 PDE7A (0.43) PDE7ACYP2C19KDM1AADRA2AGAA
SCHEMBL9176801 0.75 AKR1B1 (0.60) PDE7ACYP2C19KDM1A
SCHEMBL1972093 0.74 TSHR (0.58) PDE7A
SCHEMBL3465309 0.71 KDM1A (0.43) PDE7ACYP2C19KDM1AADRA2A
SCHEMBL3464559 0.71 KDM1A (0.46) PDE7ACYP2C19KDM1AADRA2A
SCHEMBL24699351 0.71 TDP2 (0.45) KDM1APARP1PARP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100168145-A1 FUSED IMIDAZOLE DERIVATIVES AND USE THEREOF AS ALDOSTERONE SYNTHASE INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2010-07-01 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 (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-20100168145-A1 FUSED IMIDAZOLE DERIVATIVES AND USE THEREOF AS ALDOSTERONE SYNTHASE INHIBITORS CYP21A2, CYP11B1, CYP17A1 PDE7A 915/4885CYP2C19 49/4885KDM1A 2819/4885

“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.