SCHEMBL1447883

SCHEMBL1447883

CC(=O)C1(c2ccccc2)CCC(=O)CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
CYP2C9 P11712 1/20 0.55
AKR1C1 Q04828 1/20 0.48
OPRD1 P41143 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
HDAC4 P56524 3/20 0.43
HSD11B1 P28845 2/20 0.42
OPRM1 P35372 1/20 0.42
OPRL1 P41146 1/20 0.42
ALOX15 P16050 1/20 0.42
KCNA3 P22001 3/20 0.42
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL890180 0.86 AKR1C1 (0.57) MEN1KMT2AAKR1C1OPRD1CA12
SCHEMBL631791 0.85 AKR1C1 (0.68) MEN1KMT2ACYP2C9AKR1C1HDAC4
SCHEMBL3737199 0.82 AKR1C1 (0.70) MEN1KMT2AAKR1C1OPRD1CA12
SCHEMBL15215650 0.82 AKR1C1 (0.48) MEN1KMT2ACYP2C9AKR1C1OPRD1
SCHEMBL12928712 0.82 AKR1C1 (0.64) MEN1KMT2AAKR1C1OPRD1CA12
SCHEMBL11287102 0.82 HSD11B1 (0.40) MEN1KMT2ACYP2C9HSD11B1OPRM1
SCHEMBL19358562 0.82 HSD11B1 (0.40) MEN1KMT2ACYP2C9OPRD1CA12
SCHEMBL8747873 0.82 HDAC4 (0.52) MEN1KMT2ACYP2C9OPRD1HDAC4
Ethylene SCHEMBL3968000 0.81 AKR1C1 (0.63) MEN1KMT2ACYP2C9AKR1C1HDAC4
SCHEMBL1838291 0.81 AKR1C1 (0.68) MEN1KMT2AAKR1C1HDAC4HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11008317-B2 Triazolopyridine inhibitors of myeloperoxidase and/or EPX BRISTOL-MYERS SQUIBB COMPANY (US) 2021-05-18 US disclosed
US-11008317-B2 Triazolopyridine inhibitors of myeloperoxidase and/or EPX BRISTOL-MYERS SQUIBB COMPANY (US) 2021-05-18 US disclosed
US-20200291016-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE AND/OR EPX BRISTOL MYERS SQUIBB CO (US) 2020-09-17 US disclosed
US-20200291016-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE AND/OR EPX BRISTOL MYERS SQUIBB CO (US) 2020-09-17 US disclosed
WO-2017161145-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE AND/OR EPX BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-21 WO disclosed
WO-2017161145-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE AND/OR EPX BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-21 WO disclosed
US-20130225615-A1 2-CYCLOQUINAZOLINE DERIVATIVES AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2013-08-29 US disclosed
WO-2011035355-A1 NOVEL ANTIMALARIAL 3-AZABICYCLO[3.2.2]NONANE DERIVATIVES UNIVERSITY OF GRAZ (AT) 2011-03-31 WO disclosed
EP-2301627-A1 Novel antimalarial 3-azabicyclo[3.2.2]nonane derivatives University of Graz (AT) 2011-03-30 EP 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 (3 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-20130225615-A1 2-CYCLOQUINAZOLINE DERIVATIVES AND METHODS OF USE THEREOF JAK2, JAK3, TYK2 MEN1 3028/4885KMT2A 688/4885CYP2C9 2004/4885
US-20200291016-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE AND/OR EPX EPX, MPO, SERPINB1 MEN1 4785/4885KMT2A 3328/4885CYP2C9 391/4885
US-11008317-B2 Triazolopyridine inhibitors of myeloperoxidase and/or EPX EPX, MPO, SERPINB1 MEN1 4785/4885KMT2A 3328/4885CYP2C9 391/4885

“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.