SCHEMBL18044817

SCHEMBL18044817

O=C(O)CNC(=O)C1Cc2c(n(Cc3ccc(F)cc3)c3ccccc23)CN1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 2/20 0.51
▸ TRPM8 Q7Z2W7 1/20 0.51
▸ HDAC6 Q9UBN7 5/20 0.43
▸ HDAC1 Q13547 3/20 0.43
▸ TBXA2R P21731 3/20 0.42
▸ PTGDR Q13258 3/20 0.42
▸ PTGDR2 Q9Y5Y4 3/20 0.42
▸ FABP4 P15090 2/20 0.42
▸ ABCB11 O95342 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ DRD1 P21728 1/20 0.41
▸ CCKAR P32238 1/20 0.41
▸ EGLN1 Q9GZT9 1/20 0.40
▸ HDAC10 Q969S8 1/20 0.40

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
SCHEMBL16750332 0.90 TRPM8 (0.48) ENPP2TRPM8HDAC6HDAC1HDAC10
SCHEMBL30426169 0.87 ENPP2 (0.55) ENPP2TRPM8HDAC6HDAC1TBXA2R
SCHEMBL16742442 0.87 ENPP2 (0.55) ENPP2TRPM8HDAC6HDAC1TBXA2R
SCHEMBL16742444 0.87 ENPP2 (0.55) ENPP2TRPM8HDAC6HDAC1TBXA2R
Hydrochloric Acid SCHEMBL18044813 0.86 ENPP2 (0.54) ENPP2TRPM8HDAC6HDAC1TBXA2R
Hydrochloric Acid SCHEMBL18044814 0.86 ENPP2 (0.54) ENPP2TRPM8HDAC6HDAC1TBXA2R
SCHEMBL16750316 0.83 ENPP2 (0.50) ENPP2TRPM8HDAC6HDAC1TBXA2R
SCHEMBL8381090 0.79 CA1 (0.49) ENPP2HDAC6HDAC1FABP4DRD1
SCHEMBL11017941 0.79 CA1 (0.49) ENPP2HDAC6HDAC1FABP4DRD1
SCHEMBL18044824 0.77 ENPP2 (0.49) ENPP2HDAC6HDAC1HDAC10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180162859-A1 TETRACYCLIC AUTOTAXIN INHIBITORS ATXCO, INC. 2018-06-14 — — US disclosed
US-9926318-B2 Tetracyclic autotaxin inhibitors PHARMAKEA, INC. (US) 2018-03-27 — — US disclosed
US-20160264575-A1 TETRACYCLIC AUTOTAXIN INHIBITORS DF 2024 IP ACQUISITION, LLC 2016-09-15 — — 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 (2 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-20180162859-A1 TETRACYCLIC AUTOTAXIN INHIBITORS ENPP2, SERPINB1, UACA ENPP2 1/4885TRPM8 2058/4885HDAC6 195/4885
US-20160264575-A1 TETRACYCLIC AUTOTAXIN INHIBITORS ENPP2, SERPINB1, UACA ENPP2 1/4885TRPM8 2058/4885HDAC6 195/4885

“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.

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