SCHEMBL17140641

SCHEMBL17140641

COc1cc(NC2(C(N)=O)CCN(C(=O)OC(C)(C)C)CC2)ccn1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 14/20 0.55
JAK1 P23458 14/20 0.55
GPR119 Q8TDV5 2/20 0.41
CFTR P13569 1/20 0.40
TBK1 Q9UHD2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39

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
SCHEMBL17141450 0.86 JAK2 (0.41) JAK2JAK1ALDH1A1
SCHEMBL17141154 0.83 JAK2 (0.57) JAK2JAK1GPR119TBK1
SCHEMBL17140943 0.81 ALDH1A1 (0.58) JAK2JAK1GPR119ALDH1A1
SCHEMBL20340463 0.80 SCN10A (0.40) JAK2JAK1ALDH1A1
SCHEMBL17140997 0.78 JAK2 (0.48) JAK2JAK1GPR119
SCHEMBL18940716 0.78 JAK2 (0.51) JAK2JAK1GPR119ALDH1A1
SCHEMBL17140741 0.77 FPR2 (0.50) JAK2JAK1GPR119ALDH1A1
SCHEMBL17140645 0.77 JAK2 (0.37) JAK2JAK1
SCHEMBL17140703 0.74 ALDH1A1 (0.58) JAK2JAK1GPR119ALDH1A1
SCHEMBL25262553 0.72 JAK2 (0.44) JAK2JAK1GPR119CFTRTBK1

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 9 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
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 JAK2 507/4885JAK1 2138/4885GPR119 1754/4885
US-10233182-B2 Substituted spirocyclic inhibitors of autotaxin ENPP2, CXCR3, SLC10A1 JAK2 499/4885JAK1 2671/4885GPR119 1770/4885
US-20180282332-A1 SUBSTITUTED SPIROCYCLIC INHIBITORS OF AUTOTAXIN ENPP2, CXCR3, SLC10A1 JAK2 499/4885JAK1 2671/4885GPR119 1770/4885
US-20190225611-A1 SUBSTITUTED SPIROCYCLIC INHIBITORS OF AUTOTAXIN ENPP2, SLC10A1, CXCR3 JAK2 507/4885JAK1 2138/4885GPR119 1754/4885
US-10011601-B2 Substituted spirocyclic inhibitors of autotaxin ENPP2, SLC10A1, CXCR3 JAK2 507/4885JAK1 2138/4885GPR119 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.