SCHEMBL10076236

SCHEMBL10076236

CCc1ccc(C(=O)N2CCC(O)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.56
MGLL Q99685 1/20 0.55
GRM3 Q14832 1/20 0.55
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
MAPT P10636 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
RECQL P46063 1/20 0.54
ADRB2 P07550 2/20 0.53
L3MBTL3 Q96JM7 2/20 0.53
HSP90AA1 P07900 1/20 0.52
HSP90AB1 P08238 1/20 0.52
SLC6A7 Q99884 1/20 0.52
HPGD P15428 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50

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
SCHEMBL12409671 0.91 CYP11B2 (0.51) GRM5MGLLGRM3KMT2AMEN1
SCHEMBL10076237 0.91 CYP11B2 (0.51) GRM5MGLLGRM3KMT2AMEN1
SCHEMBL8279585 0.87 ACHE (0.66) GRM5MGLLKMT2AMEN1MAPT
SCHEMBL1912094 0.87 SLC6A7 (0.53) MGLLGRM3KMT2AMEN1MAPT
SCHEMBL12075422 0.86 MGLL (0.54) MGLLKMT2AMEN1MAPTCYP1A2
SCHEMBL4164420 0.84 MAPT (0.66) MGLLKMT2AMEN1MAPTCYP1A2
SCHEMBL20300218 0.84 GRM5 (0.56) GRM5MGLLGRM3KMT2AMAPT
SCHEMBL8275304 0.84 GRM5 (0.56) GRM5GRM3KMT2AL3MBTL3HSP90AA1
SCHEMBL17850465 0.83 ALDH1A1 (0.48) MGLLKMT2AMEN1MAPTCYP1A2
SCHEMBL8337811 0.83 HSP90AA1 (0.56) GRM5GRM3KMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093231-B2 Sulfonylethyl phosphorodiamidates TELIK, INC. (US) 2012-01-10 US disclosed
US-7981881-B2 Fused heterocyclic compounds and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2011-07-19 US disclosed
US-20080293650-A1 Fused Heterocyclic Compounds and Use Thereof BRISTOL-MYERS SQUIBB COMPANY 2008-11-27 US disclosed
US-7384937-B2 Fused heterocyclic compounds and use thereof BRISTOL-MYERS SQUIBB CO. (US) 2008-06-10 US disclosed
US-20080039429-A1 SULFONYLETHYL PHOSPHORODIAMIDATES TELIK, INC. 2008-02-14 US disclosed
US-7262182-B2 Sulfonylethyl phosphorodiamidates TELIK, INC. (US) 2007-08-28 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 (2 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-20080039429-A1 SULFONYLETHYL PHOSPHORODIAMIDATES MTAP, TYMP, PHOSPHO1 GRM5 2807/4885MGLL 3564/4885GRM3 2375/4885
US-20080293650-A1 Fused Heterocyclic Compounds and Use Thereof MCL1, FPR1, LTB4R GRM5 1440/4885MGLL 4373/4885GRM3 2184/4885

“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.