SCHEMBL3368754

SCHEMBL3368754

O=C1OC2(CCn3cncc32)c2ccc(Br)cc21

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 4/20 0.43
NPY5R Q15761 2/20 0.37
CYP17A1 P05093 5/20 0.33
PDE4B Q07343 1/20 0.33
LRRK2 Q5S007 2/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP21A2 P08686 1/20 0.32
CYP2C19 P33261 1/20 0.32
PARP1 P09874 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
MALT1 Q9UDY8 1/20 0.30

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
SCHEMBL3365983 0.85 NPY5R (0.40) NPY5RCYP17A1CYP1A2CYP21A2CYP2C19
SCHEMBL3364453 0.77 CYP17A1 (0.32) CYP17A1CYP1A2CYP21A2CYP2C19
SCHEMBL3367531 0.70 SLC6A4 (0.30)
SCHEMBL731895 0.70 PARP1 (0.33) PARP1
SCHEMBL3839594 0.69 AVPR1A (0.60) AVPR1ANPY5R
SCHEMBL31394077 0.66 AVPR1A (0.51) AVPR1ANPY5RLRRK2OPRM1OPRD1
SCHEMBL4360871 0.66 AVPR1A (0.54) AVPR1ANPY5R
SCHEMBL3841581 0.66 AVPR1A (0.54) AVPR1ANPY5R
SCHEMBL31394738 0.66 AVPR1A (0.47) AVPR1ANPY5RLRRK2OPRM1OPRD1
SCHEMBL3842297 0.65 AVPR1A (0.50) AVPR1ANPY5ROPRM1OPRD1PARP1

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-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
EP-2134720-A1 HETEROCYCLIC SPIRO-COMPOUNDS Novartis Ag (CH) 2009-12-23 EP disclosed
WO-2008119744-A1 HETEROCYCLIC SPIRO-COMPOUNDS NOVARTIS AG (CH) 2008-10-09 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-20100144774-A1 HETEROCYCLIC SPIRO-COMPOUNDS REN, NR3C2, CYP21A2 AVPR1A 67/4885NPY5R 792/4885CYP17A1 7/4885

“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.