SCHEMBL18940802

SCHEMBL18940802

CC(C)(C)C1CC(CO)(Nc2ccccc2)CCN1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NPFFR1 Q9GZQ6 17/20 0.39
NPFFR2 Q9Y5X5 17/20 0.39
OPRK1 P41145 2/20 0.37
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33

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
SCHEMBL17140651 0.78 SMN1; SMN2 (0.44) NPFFR1NPFFR2
SCHEMBL17767843 0.76 CYP2C19 (0.43) NPFFR1NPFFR2OPRK1
SCHEMBL28873836 0.72 GRIN2D (0.49) NPFFR1NPFFR2OPRK1OPRM1
SCHEMBL18689716 0.72 DRD2 (0.44) OPRK1OPRM1OPRD1
SCHEMBL18428452 0.71 FPR2 (0.34)
SCHEMBL237235 0.71 OGA (0.35) OPRK1OPRM1OPRD1
SCHEMBL28577569 0.71 ALOX15 (0.45) OPRK1OPRM1OPRD1
SCHEMBL17149550 0.71 NPFFR1 (0.50) NPFFR1NPFFR2OPRK1OPRD1
SCHEMBL21825490 0.70
SCHEMBL18428451 0.70 EPHX2 (0.36)

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 5 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

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 NPFFR1 2485/4885NPFFR2 3350/4885OPRK1 770/4885
US-10233182-B2 Substituted spirocyclic inhibitors of autotaxin ENPP2, CXCR3, SLC10A1 NPFFR1 2742/4885NPFFR2 3406/4885OPRK1 777/4885
US-20180282332-A1 SUBSTITUTED SPIROCYCLIC INHIBITORS OF AUTOTAXIN ENPP2, CXCR3, SLC10A1 NPFFR1 2742/4885NPFFR2 3406/4885OPRK1 777/4885
US-20190225611-A1 SUBSTITUTED SPIROCYCLIC INHIBITORS OF AUTOTAXIN ENPP2, SLC10A1, CXCR3 NPFFR1 2485/4885NPFFR2 3350/4885OPRK1 770/4885
US-10011601-B2 Substituted spirocyclic inhibitors of autotaxin ENPP2, SLC10A1, CXCR3 NPFFR1 2485/4885NPFFR2 3350/4885OPRK1 770/4885

“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.