SCHEMBL12362001

SCHEMBL12362001

CNc1ccc2c(c1)OCC(=O)N2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.56
TRPV1 Q8NER1 1/20 0.52
MMP12 P39900 1/20 0.51
PKM P14618 5/20 0.49
CYP11B1 P15538 1/20 0.48
CYP11B2 P19099 1/20 0.48
PARP1 P09874 1/20 0.48
IDH1 O75874 1/20 0.47
PDE3B Q13370 1/20 0.47
PDE3A Q14432 1/20 0.47
CYP3A4 P08684 2/20 0.46
CYP19A1 P11511 2/20 0.46
CYP2C9 P11712 2/20 0.46
GRIN2D O15399 1/20 0.45
GRIN3B O60391 1/20 0.45
GRIN1 Q05586 1/20 0.45
GRIN2A Q12879 1/20 0.45
GRIN2B Q13224 1/20 0.45
GRIN2C Q14957 1/20 0.45
GRIN3A Q8TCU5 1/20 0.45

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
SCHEMBL13545305 0.87 MMP12 (0.64) TRPV1MMP12PKMPARP1ALDH1A1
SCHEMBL23432581 0.84 KIF11 (0.54) KIF11TRPV1MMP12PKMCYP11B1
SCHEMBL24508992 0.81 KIF11 (0.54) KIF11TRPV1MMP12PKMCYP11B1
SCHEMBL6297431 0.79 KIF11 (0.62) KIF11TRPV1MMP12PKMCYP11B1
SCHEMBL6297491 0.79 KIF11 (0.58) KIF11TRPV1PKMALDH1A1MAPT
SCHEMBL24864966 0.79 TRPV1 (0.65) KIF11TRPV1MMP12PKMCYP11B1
SCHEMBL30336331 0.79 TRPV1 (0.65) KIF11TRPV1MMP12PKMCYP11B1
SCHEMBL280003 0.78 MMP12 (0.75) KIF11MMP12PKMCYP11B1CYP11B2
SCHEMBL10269414 0.78 KIF11 (0.60) KIF11TRPV1MMP12PKMCYP11B1
SCHEMBL4578101 0.78 TRPV1 (0.56) KIF11TRPV1PKMCYP11B1CYP11B2

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-8008326-B2 4-benzyledene-piperidin derivatives RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 2011-08-30 US disclosed
US-8008326-B2 4-benzyledene-piperidin derivatives RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 2011-08-30 US disclosed
US-20080312222-A1 4-Benzyledene-Piperidin Derivatives RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 2008-12-18 US disclosed
US-20080312222-A1 4-Benzyledene-Piperidin Derivatives RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 2008-12-18 US disclosed
CN-1133844-A Osa-or thia-aliphatically bridged quinoxaline-2,3-diones CIBA GEIGY AG (CH) 1996-10-23 CN 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-20080312222-A1 4-Benzyledene-Piperidin Derivatives GRIN2C, GRIN2A, GRIN1 KIF11 4185/4885TRPV1 39/4885MMP12 3455/4885

“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.