SCHEMBL3465560

SCHEMBL3465560

N#Cc1ccc2c(c1)CCOC21CCn2cncc21

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.39
CYP17A1 P05093 5/20 0.36
CYP11B2 P19099 8/20 0.34
CYP19A1 P11511 5/20 0.34
CYP1A2 P05177 1/20 0.32
CYP21A2 P08686 1/20 0.32
CYP2C19 P33261 1/20 0.32
CYP11B1 P15538 4/20 0.32
DRD2 P14416 2/20 0.32
DRD3 P35462 2/20 0.32
PNMT P11086 1/20 0.32
FASN P49327 2/20 0.31
HRH1 P35367 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL3368780 0.93 KDM1A (0.40) KDM1ACYP17A1CYP11B2CYP19A1CYP11B1
SCHEMBL3368777 0.92 KDM1A (0.37) KDM1ACYP17A1CYP11B2CYP19A1CYP1A2
SCHEMBL742444 0.91 KDM1A (0.39) KDM1ACYP17A1CYP11B2CYP19A1CYP11B1
SCHEMBL741386 0.89 KDM1A (0.46) KDM1ACYP11B2CYP19A1CYP11B1
SCHEMBL3366407 0.88 FASN (0.37) KDM1ACYP2C19DRD3FASNHRH1
SCHEMBL3365832 0.88 FASN (0.37) KDM1ACYP2C19DRD3FASNHRH1
SCHEMBL3396999 0.85 CYP19A1 (0.37) KDM1ACYP17A1CYP11B2CYP19A1CYP11B1
SCHEMBL741384 0.83 KDM1A (0.40) KDM1ACYP17A1CYP11B2CYP19A1CYP11B1
SCHEMBL3366305 0.82 CYP17A1 (0.33) KDM1ACYP17A1CYP11B2CYP19A1CYP1A2
SCHEMBL3367425 0.82 FASN (0.38) KDM1ACYP11B2CYP19A1CYP2C19DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324235-B2 Heterocyclic spiro-compounds NOVARTIS AG (CH) 2012-12-04 US disclosed
US-20100144774-A1 HETEROCYCLIC SPIRO-COMPOUNDS NOVARTIS AG (CH) 2010-06-10 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-20100144774-A1 HETEROCYCLIC SPIRO-COMPOUNDS REN, NR3C2, CYP21A2 KDM1A 3591/4885CYP17A1 7/4885CYP11B2 6/4885

“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.