SCHEMBL17140992

SCHEMBL17140992

CN1C(=O)N(c2ccccc2)C2(CCN(C(=O)O)CC2C(C)(C)C)C1=O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 5/20 0.38
ALDH1A1 P00352 3/20 0.37
ATM Q13315 1/20 0.37
TRPV1 Q8NER1 4/20 0.36
TACR1 P25103 3/20 0.35
USP2 O75604 1/20 0.34
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33
USP30 Q70CQ3 1/20 0.33
METAP2 P50579 1/20 0.33
BDKRB2 P30411 1/20 0.33
CYP1A2 P05177 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
SCHEMBL17140968 0.91 ME2 (0.33) ENPP2
SCHEMBL18940792 0.90 CYP2C9 (0.36) CYP2C19CYP1A2
SCHEMBL17140987 0.89 ALDH1A1 (0.41) ALDH1A1USP2MAPK1CYP2C19
SCHEMBL17140959 0.89 ITGB3 (0.35) ENPP2
SCHEMBL17141087 0.88 ITGAL (0.36) ENPP2ALDH1A1USP2MAPK1CYP2C19
SCHEMBL17140628 0.87 ALDH1A1 (0.35) ENPP2ALDH1A1
SCHEMBL17140871 0.87 MAPT (0.37) ALDH1A1MAPK1
SCHEMBL17140941 0.86 ENPP2 (0.40) ENPP2
SCHEMBL18940800 0.86 MAPT (0.38) ENPP2ALDH1A1USP2
SCHEMBL18940712 0.84 ENPP2 (0.30) ENPP2

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 ENPP2 1/4885ALDH1A1 1493/4885ATM 3673/4885
US-10233182-B2 Substituted spirocyclic inhibitors of autotaxin ENPP2, CXCR3, SLC10A1 ENPP2 1/4885ALDH1A1 1900/4885ATM 3604/4885
US-20180282332-A1 SUBSTITUTED SPIROCYCLIC INHIBITORS OF AUTOTAXIN ENPP2, CXCR3, SLC10A1 ENPP2 1/4885ALDH1A1 1900/4885ATM 3604/4885
US-20190225611-A1 SUBSTITUTED SPIROCYCLIC INHIBITORS OF AUTOTAXIN ENPP2, SLC10A1, CXCR3 ENPP2 1/4885ALDH1A1 1493/4885ATM 3673/4885
US-10011601-B2 Substituted spirocyclic inhibitors of autotaxin ENPP2, SLC10A1, CXCR3 ENPP2 1/4885ALDH1A1 1493/4885ATM 3673/4885

“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.