SCHEMBL17140776

SCHEMBL17140776

COc1ccc(N2CN(C)C(=O)C23CCN(C(=O)OC(C)(C)C)CC3)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1L1 Q9UHC9 2/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 1/20 0.47
BACE1 P56817 2/20 0.46
CTSD P07339 1/20 0.46
CTSE P14091 1/20 0.46
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
OPRK1 P41145 1/20 0.45
OPRL1 P41146 1/20 0.45
GPR119 Q8TDV5 1/20 0.44
CCR5 P51681 2/20 0.43
STS P08842 1/20 0.43
TP53 P04637 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTT P42858 1/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40

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
SCHEMBL17149482 0.96 NPC1L1 (0.45) NPC1L1LMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL18940740 0.89 NPC1L1 (0.51) NPC1L1LMNAMAPTALDH1A1OPRM1
SCHEMBL17141075 0.88 NPC1L1 (0.48) NPC1L1LMNAMAPTALDH1A1OPRM1
SCHEMBL17149558 0.88 NPC1L1 (0.48) NPC1L1LMNAMAPTALDH1A1OPRM1
SCHEMBL17141036 0.88 NPC1L1 (0.48) NPC1L1LMNAMAPTALDH1A1OPRM1
SCHEMBL17140692 0.88 NPC1L1 (0.58) NPC1L1OPRM1OPRD1OPRK1OPRL1
SCHEMBL17140857 0.87 NPC1L1 (0.50) NPC1L1LMNAMAPTSMN1; SMN2OPRM1
SCHEMBL17140743 0.87 NPC1L1 (0.54) NPC1L1OPRM1OPRD1OPRK1OPRL1
SCHEMBL17149494 0.86 GPR119 (0.53) NPC1L1SMN1; SMN2OPRM1OPRD1OPRK1
SCHEMBL17140451 0.85 OPRM1 (0.52) SMN1; SMN2ALDH1A1OPRM1OPRD1OPRK1

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 NPC1L1 497/4885LMNA 3178/4885MAPT 3064/4885
US-10233182-B2 Substituted spirocyclic inhibitors of autotaxin ENPP2, CXCR3, SLC10A1 NPC1L1 519/4885LMNA 2919/4885MAPT 3092/4885
US-20180282332-A1 SUBSTITUTED SPIROCYCLIC INHIBITORS OF AUTOTAXIN ENPP2, CXCR3, SLC10A1 NPC1L1 519/4885LMNA 2919/4885MAPT 3092/4885
US-20190225611-A1 SUBSTITUTED SPIROCYCLIC INHIBITORS OF AUTOTAXIN ENPP2, SLC10A1, CXCR3 NPC1L1 497/4885LMNA 3178/4885MAPT 3064/4885
US-10011601-B2 Substituted spirocyclic inhibitors of autotaxin ENPP2, SLC10A1, CXCR3 NPC1L1 497/4885LMNA 3178/4885MAPT 3064/4885

“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.