SCHEMBL17141012

SCHEMBL17141012

CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)NC(=O)N2CC1CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.46
CRBN Q96SW2 1/20 0.46
KDM4E B2RXH2 2/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
GPR119 Q8TDV5 4/20 0.40
CCR5 P51681 2/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
BACE1 P56817 1/20 0.40
NR1H2 P55055 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
FPR2 P25090 1/20 0.38
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL6088191 0.85 DDB1 (0.44) DDB1CRBNKDM4EMAPTTHRB
SCHEMBL29788253 0.82 USP2 (0.44) DDB1CRBNKDM4EMAPTTHRB
SCHEMBL18940727 0.81 ENPP2 (0.42) DDB1CRBNKDM4EMAPTTHRB
SCHEMBL2449593 0.81 CCR5 (0.43) DDB1CRBNKDM4EMAPTTHRB
SCHEMBL22770523 0.80 DDB1 (0.43) DDB1CRBNKDM4EMAPTTHRB
SCHEMBL22770572 0.76 GPR119 (0.41) DDB1CRBNKDM4EMAPTTHRB
SCHEMBL8893259 0.76 SLC6A9 (0.50) DDB1CRBNKDM4EMAPTTHRB
SCHEMBL17140401 0.71 ENPP2 (0.37) DDB1CRBNKDM4EMAPTTHRB
SCHEMBL20873836 0.71 CNR1 (0.51) DDB1CRBNKDM4EMAPTGPR119
SCHEMBL1100404 0.71 CNR1 (0.51) DDB1CRBNKDM4EMAPTGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190225611-A1 SUBSTITUTED SPIROCYCLIC INHIBITORS OF AUTOTAXIN X-RX, INC. 2019-07-25 US disclosed
US-10233182-B2 Substituted spirocyclic inhibitors of autotaxin X-RX, INC. (US) 2019-03-19 US disclosed
US-20180282332-A1 SUBSTITUTED SPIROCYCLIC INHIBITORS OF AUTOTAXIN X-RX, INC. 2018-10-04 US disclosed
US-10011601-B2 Substituted spirocyclic inhibitors of autotaxin X-RX, INC. (US) 2018-07-03 US disclosed
US-20170166568-A1 SUBSTITUTED SPIROCYCLIC INHIBITORS OF AUTOTAXIN X-RX, INC. (US) 2017-06-15 US disclosed
US-20170166568-A1 SUBSTITUTED SPIROCYCLIC INHIBITORS OF AUTOTAXIN X-RX, INC. (US) 2017-06-15 US disclosed
EP-3125895-A1 SUBSTITUTED SPIROCYDIC INHIBITORS OF AUTOTAXIN X-RX, Inc. (US) 2017-02-08 EP disclosed
WO-2015154023-A1 SUBSTITUTED SPIROCYDIC INHIBITORS OF AUTOTAXIN X-RX DISCOVERY, INC. (US) 2015-10-08 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 (5 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-20170166568-A1 SUBSTITUTED SPIROCYCLIC INHIBITORS OF AUTOTAXIN ENPP2, SLC10A1, CXCR3 DDB1 3023/4885CRBN 3989/4885KDM4E 3762/4885
US-10233182-B2 Substituted spirocyclic inhibitors of autotaxin ENPP2, CXCR3, SLC10A1 DDB1 3334/4885CRBN 3966/4885KDM4E 3789/4885
US-20180282332-A1 SUBSTITUTED SPIROCYCLIC INHIBITORS OF AUTOTAXIN ENPP2, CXCR3, SLC10A1 DDB1 3334/4885CRBN 3966/4885KDM4E 3789/4885
US-20190225611-A1 SUBSTITUTED SPIROCYCLIC INHIBITORS OF AUTOTAXIN ENPP2, SLC10A1, CXCR3 DDB1 3023/4885CRBN 3989/4885KDM4E 3762/4885
US-10011601-B2 Substituted spirocyclic inhibitors of autotaxin ENPP2, SLC10A1, CXCR3 DDB1 3023/4885CRBN 3989/4885KDM4E 3762/4885

“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.