SCHEMBL16750287

SCHEMBL16750287

CC(C)(C=O)c1cn(Cc2ccc(F)cc2)c2ncccc12

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 5/20 0.48
▸ CNR1 P21554 4/20 0.48
▸ PDE4A P27815 1/20 0.48
▸ PDE4B Q07343 1/20 0.48
▸ PDE4C Q08493 1/20 0.48
▸ PDE4D Q08499 1/20 0.48
▸ TP53 P04637 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ HTR6 P50406 3/20 0.42
▸ MAPT P10636 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ KAT2B Q92831 1/20 0.41
▸ APP P05067 2/20 0.40
▸ SNCA P37840 2/20 0.40
▸ ATM Q13315 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38

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
SCHEMBL16750284 0.87 PDE4A (0.50) CNR2CNR1PDE4APDE4BPDE4C
SCHEMBL18070824 0.81 PDE4A (0.46) CNR2CNR1PDE4APDE4BPDE4C
SCHEMBL6706747 0.79 ALDH1A1 (0.64) CNR2CNR1PDE4APDE4BPDE4C
SCHEMBL16750294 0.78 PDE4A (0.48) CNR2CNR1PDE4APDE4BPDE4C
SCHEMBL16750286 0.76 CNR2 (0.47) CNR2CNR1PDE4APDE4BPDE4C
SCHEMBL5559147 0.74 PDE4A (0.66) CNR2CNR1PDE4APDE4BPDE4C
SCHEMBL9278001 0.74 PDE4A (0.66) CNR2CNR1PDE4APDE4BPDE4C
SCHEMBL5557953 0.73 PDE4A (0.62) CNR2CNR1PDE4APDE4BPDE4C
Hydrochloric Acid SCHEMBL9278006 0.73 PDE4A (0.65) CNR2CNR1PDE4APDE4BPDE4C
SCHEMBL16750295 0.70 PDE4A (0.48) CNR2CNR1PDE4APDE4BPDE4C

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 11 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-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-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
US-20160264575-A1 TETRACYCLIC AUTOTAXIN INHIBITORS DF 2024 IP ACQUISITION, LLC 2016-09-15 — — US disclosed
CN-105764903-A Tetracyclic autotaxin inhibitors 法玛克亚公司 2016-07-13 — — CN 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 CNR2 4472/4885CNR1 4352/4885PDE4A 2959/4885
US-20160264575-A1 TETRACYCLIC AUTOTAXIN INHIBITORS ENPP2, SERPINB1, UACA CNR2 4472/4885CNR1 4352/4885PDE4A 2959/4885

“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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