SCHEMBL17140959

SCHEMBL17140959

CN1C(=O)N(c2ccc(C(N)=O)cc2)C2(CCN(C(=O)O)CC2C(C)(C)C)C1=O

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.35
ITGA2B P08514 11/20 0.35
GPR119 Q8TDV5 1/20 0.34
ENPP2 Q13822 3/20 0.34
OPRM1 P35372 3/20 0.32
OPRD1 P41143 2/20 0.32
OPRK1 P41145 2/20 0.32
CHRNA7 P36544 1/20 0.32
CHRNA10 Q9GZZ6 1/20 0.32
CHRNA9 Q9UGM1 1/20 0.32
OPRL1 P41146 1/20 0.32

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
SCHEMBL17140968 0.89 ME2 (0.33) ENPP2
SCHEMBL17140992 0.89 ENPP2 (0.38) ENPP2
SCHEMBL17140628 0.88 ALDH1A1 (0.35) ENPP2OPRM1OPRL1
SCHEMBL17140987 0.86 ALDH1A1 (0.41)
SCHEMBL18940792 0.86 CYP2C9 (0.36) ITGB3ITGA2B
SCHEMBL17141087 0.85 ITGAL (0.36) ENPP2
SCHEMBL17140871 0.84 MAPT (0.37)
SCHEMBL17140941 0.84 ENPP2 (0.40) ENPP2
SCHEMBL18940800 0.84 MAPT (0.38) GPR119ENPP2CHRNA7
SCHEMBL17141174 0.82 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 7 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
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 ITGB3 480/4885ITGA2B 179/4885GPR119 1754/4885
US-10233182-B2 Substituted spirocyclic inhibitors of autotaxin ENPP2, CXCR3, SLC10A1 ITGB3 502/4885ITGA2B 151/4885GPR119 1770/4885
US-20180282332-A1 SUBSTITUTED SPIROCYCLIC INHIBITORS OF AUTOTAXIN ENPP2, CXCR3, SLC10A1 ITGB3 502/4885ITGA2B 151/4885GPR119 1770/4885
US-20190225611-A1 SUBSTITUTED SPIROCYCLIC INHIBITORS OF AUTOTAXIN ENPP2, SLC10A1, CXCR3 ITGB3 480/4885ITGA2B 179/4885GPR119 1754/4885
US-10011601-B2 Substituted spirocyclic inhibitors of autotaxin ENPP2, SLC10A1, CXCR3 ITGB3 480/4885ITGA2B 179/4885GPR119 1754/4885

“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.