SCHEMBL17141010

SCHEMBL17141010

COC(=O)c1ccc(N2CNC(=O)C23CCN(C(=O)OC(C)(C)C)CC3)cc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 2/20 0.59
OPRK1 P41145 6/20 0.46
HTR2C P28335 3/20 0.46
OPRM1 P35372 3/20 0.46
AVPR1A P37288 3/20 0.46
DRD3 P35462 1/20 0.46
PLD1 Q13393 7/20 0.46
PLD2 O14939 5/20 0.46
SLC6A9 P48067 2/20 0.45
PKM P14618 1/20 0.45
ADORA3 P0DMS8 2/20 0.44
HTR1A P08908 1/20 0.44
SLC6A3 Q01959 1/20 0.44
GPR119 Q8TDV5 1/20 0.43

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
SCHEMBL17149522 0.90 CCR5 (0.57) CCR5OPRK1HTR2COPRM1AVPR1A
SCHEMBL318445 0.87 CCR5 (0.61) CCR5OPRK1HTR2COPRM1AVPR1A
SCHEMBL17140870 0.86 CCR5 (0.62) CCR5OPRK1HTR2COPRM1AVPR1A
SCHEMBL318440 0.86 CCR5 (0.62) CCR5OPRK1HTR2COPRM1AVPR1A
SCHEMBL318858 0.86 CCR5 (0.75) CCR5OPRK1HTR2COPRM1AVPR1A
SCHEMBL17140762 0.83 PKM (0.46) CCR5PKMGPR119
SCHEMBL17141181 0.82 ALDH1A1 (0.59) CCR5OPRK1HTR2COPRM1AVPR1A
SCHEMBL17140857 0.81 NPC1L1 (0.50) CCR5OPRK1OPRM1DRD3PKM
SCHEMBL20340382 0.81 SLC6A9 (0.50) OPRM1PLD1PLD2SLC6A9
SCHEMBL17141234 0.80 PKM (0.44) CCR5PKMGPR119

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 12 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-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-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-10011601-B2 Substituted spirocyclic inhibitors of autotaxin X-RX, INC. (US) 2018-07-03 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 CCR5 37/4885OPRK1 770/4885HTR2C 3773/4885
US-10233182-B2 Substituted spirocyclic inhibitors of autotaxin ENPP2, CXCR3, SLC10A1 CCR5 36/4885OPRK1 777/4885HTR2C 3826/4885
US-20180282332-A1 SUBSTITUTED SPIROCYCLIC INHIBITORS OF AUTOTAXIN ENPP2, CXCR3, SLC10A1 CCR5 36/4885OPRK1 777/4885HTR2C 3826/4885
US-20190225611-A1 SUBSTITUTED SPIROCYCLIC INHIBITORS OF AUTOTAXIN ENPP2, SLC10A1, CXCR3 CCR5 37/4885OPRK1 770/4885HTR2C 3773/4885
US-10011601-B2 Substituted spirocyclic inhibitors of autotaxin ENPP2, SLC10A1, CXCR3 CCR5 37/4885OPRK1 770/4885HTR2C 3773/4885

“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.