SCHEMBL2017952

SCHEMBL2017952

CCOC(=O)c1ccc2c(c1)N1CCN(C(=O)OC(C)(C)C)CC1CC(=O)N2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.43
CRBN Q96SW2 1/20 0.40
MAPT P10636 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GPR119 Q8TDV5 2/20 0.38
ALDH1A1 P00352 3/20 0.38
BTK Q06187 1/20 0.38
CCNB2 O95067 1/20 0.37
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37
MDH2 P40926 1/20 0.37
CCNB3 Q8WWL7 1/20 0.37
USP30 Q70CQ3 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
RARA P10276 1/20 0.36
RARB P10826 1/20 0.36
USP2 O75604 1/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL2015043 0.86 CRBN (0.42) CRBNMAPTGPR119USP30MEN1
SCHEMBL2015044 0.86 CRBN (0.42) CRBNMAPTGPR119USP30MEN1
SCHEMBL2018072 0.84 ESR2 (0.42) CRBNMAPTGPR119USP30
SCHEMBL2014200 0.84 ESR2 (0.42) CRBNMAPTGPR119USP30
SCHEMBL2017798 0.84 ESR2 (0.42) CRBNMAPTGPR119USP30
SCHEMBL2015350 0.83 CRBN (0.40) CRBNGPR119USP30
SCHEMBL2018357 0.83 CNR1 (0.42) CRBNMAPTUSP30MEN1KMT2A
SCHEMBL2017220 0.83 PAK1 (0.42) CRBNGPR119USP30
SCHEMBL2018339 0.83 FPR2 (0.43) CRBNCCNB2CDK1CCNB1CCNB3
SCHEMBL2017289 0.80 GPR119 (0.45) CRBNMAPTGPR119ALDH1A1USP30

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
EP-2560973-B1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBVIE INC (US) 2016-11-16 EP disclosed
US-8546377-B2 Modulators of 5-HT receptors and methods of use thereof ABBVIE INC. (US) 2013-10-01 US disclosed
US-20110130382-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2011-06-02 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-20110130382-A1 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF HTR4, HTR1A, HTR1D ATM 4084/4885CRBN 2432/4885MAPT 4016/4885

“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.