SCHEMBL16750332

SCHEMBL16750332

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

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TRPM8 Q7Z2W7 2/20 0.48
▸ ENPP2 Q13822 2/20 0.46
▸ HDAC6 Q9UBN7 11/20 0.42
▸ HDAC1 Q13547 7/20 0.42
▸ HDAC8 Q9BY41 3/20 0.39
▸ HDAC3 O15379 2/20 0.39
▸ HDAC2 Q92769 2/20 0.39
▸ HDAC10 Q969S8 2/20 0.39
▸ NCOR2 Q9Y618 2/20 0.39
▸ HDAC4 P56524 1/20 0.39
▸ HDAC7 Q8WUI4 1/20 0.39
▸ HDAC11 Q96DB2 1/20 0.39
▸ HDAC9 Q9UKV0 1/20 0.39
▸ HDAC5 Q9UQL6 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
SCHEMBL18044817 0.90 ENPP2 (0.51) TRPM8ENPP2HDAC6HDAC1HDAC10
SCHEMBL30426169 0.83 ENPP2 (0.55) TRPM8ENPP2HDAC6HDAC1HDAC8
SCHEMBL16742442 0.83 ENPP2 (0.55) TRPM8ENPP2HDAC6HDAC1HDAC8
SCHEMBL16742444 0.83 ENPP2 (0.55) TRPM8ENPP2HDAC6HDAC1HDAC8
Hydrochloric Acid SCHEMBL18044813 0.82 ENPP2 (0.54) TRPM8ENPP2HDAC6HDAC1HDAC8
Hydrochloric Acid SCHEMBL18044814 0.82 ENPP2 (0.54) TRPM8ENPP2HDAC6HDAC1HDAC8
SCHEMBL20240371 0.81 ENPP2 (0.50) ENPP2HDAC6HDAC1HDAC8HDAC3
SCHEMBL16750316 0.79 ENPP2 (0.50) TRPM8ENPP2HDAC6HDAC1
SCHEMBL16750333 0.79 HDAC6 (0.47) ENPP2HDAC6HDAC1HDAC8HDAC3
SCHEMBL16750283 0.78 ENPP2 (0.41) TRPM8ENPP2HDAC6HDAC1HDAC8

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-20180162859-A1 TETRACYCLIC AUTOTAXIN INHIBITORS ATXCO, INC. 2018-06-14 — — US disclosed
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-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
US-20160264575-A1 TETRACYCLIC AUTOTAXIN INHIBITORS DF 2024 IP ACQUISITION, LLC 2016-09-15 — — US disclosed
WO-2015077502-A1 TETRACYCLIC AUTOTAXIN INHIBITORS PHARMAKEA, INC. (US) 2015-05-28 — — 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 (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 TRPM8 2058/4885ENPP2 1/4885HDAC6 195/4885
US-20160264575-A1 TETRACYCLIC AUTOTAXIN INHIBITORS ENPP2, SERPINB1, UACA TRPM8 2058/4885ENPP2 1/4885HDAC6 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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