SCHEMBL3365983

SCHEMBL3365983

N#Cc1ccc2c(c1)C(=O)OC21CCn2cncc21

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 2/20 0.40
CYP11B2 P19099 6/20 0.34
CYP19A1 P11511 3/20 0.34
MALT1 Q9UDY8 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
CYP17A1 P05093 4/20 0.34
CYP11B1 P15538 1/20 0.33
ABCC9 O60706 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP21A2 P08686 1/20 0.32
CYP2C19 P33261 1/20 0.32
TNKS O95271 2/20 0.32
OTUD7B Q6GQQ9 1/20 0.32

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
SCHEMBL3368754 0.85 AVPR1A (0.43) NPY5RMALT1CYP17A1CYP1A2CYP21A2
SCHEMBL3366407 0.77 FASN (0.37) HTR2AHTR2CCYP2C19
SCHEMBL3365832 0.77 FASN (0.37) HTR2AHTR2CCYP2C19
SCHEMBL3366305 0.75 CYP17A1 (0.33) CYP11B2CYP19A1CYP17A1CYP11B1CYP1A2
SCHEMBL3465560 0.75 KDM1A (0.39) CYP11B2CYP19A1CYP17A1CYP11B1CYP1A2
SCHEMBL3368777 0.74 KDM1A (0.37) CYP11B2CYP19A1CYP17A1CYP11B1CYP1A2
SCHEMBL3617961 0.73 CYP11B2 (0.37) CYP11B2CYP19A1HTR2AHTR2CCYP17A1
SCHEMBL8246810 0.72 CYP11B2 (0.36) CYP11B2CYP19A1HTR2AHTR2CCYP17A1
SCHEMBL1128983 0.71 CYP19A1 (0.37) NPY5RCYP11B2CYP19A1HTR2AHTR2C
SCHEMBL3367425 0.70 FASN (0.38) CYP11B2CYP19A1HTR2AHTR2CCYP2C19

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 3 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
EP-2134720-B1 HETEROCYCLIC SPIRO-COMPOUNDS NOVARTIS AG (CH) 2010-10-13 EP 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 NPY5R 792/4885CYP11B2 6/4885CYP19A1 59/4885

“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.