SCHEMBL19110856

SCHEMBL19110856

Cc1nn(Cc2ccc(F)cc2)c2c1CCN(C(=O)CN[C@H]1C[C@H](C(=O)O)C1)C2

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KCNK3 O14649 7/20 0.44
▸ SIGMAR1 Q99720 1/20 0.41
▸ IDH1 O75874 1/20 0.39
▸ ENPP2 Q13822 3/20 0.38
▸ KDM1A O60341 5/20 0.37
▸ MAOB P27338 1/20 0.37
▸ HDAC6 Q9UBN7 4/20 0.37
▸ LMNA P02545 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ DPP4 P27487 1/20 0.36
▸ DPP8 Q6V1X1 1/20 0.36
▸ DPP9 Q86TI2 1/20 0.36
▸ DPP7 Q9UHL4 1/20 0.36

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
SCHEMBL19110853 1.00 KCNK3 (0.44) KCNK3SIGMAR1IDH1ENPP2KDM1A
SCHEMBL19110855 0.93 KCNK3 (0.43) KCNK3SIGMAR1IDH1ENPP2LMNA
SCHEMBL19110857 0.93 KCNK3 (0.43) KCNK3SIGMAR1IDH1ENPP2LMNA
SCHEMBL19110854 0.90 KCNK3 (0.40) KCNK3SIGMAR1KDM1AMAOBSMN1; SMN2
SCHEMBL17328191 0.88 KCNK3 (0.43) KCNK3SIGMAR1IDH1ENPP2DPP4
SCHEMBL17317616 0.88 KCNK3 (0.43) KCNK3SIGMAR1IDH1ENPP2DPP4
SCHEMBL17328198 0.88 KCNK3 (0.43) KCNK3SIGMAR1IDH1ENPP2DPP4
SCHEMBL19110719 0.87 ENPP2 (0.46) KCNK3SIGMAR1IDH1ENPP2
SCHEMBL19110838 0.85 KCNK3 (0.41) KCNK3SIGMAR1IDH1ENPP2KDM1A
SCHEMBL19110824 0.84 KCNK3 (0.43) KCNK3SIGMAR1IDH1ENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170197960-A1 ATX MODULATING AGENTS BIOGEN MA INC. 2017-07-13 — — 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 (1 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-20170197960-A1 ATX MODULATING AGENTS ENPP2, ATXN10, ATXN2 KCNK3 1825/4885SIGMAR1 2505/4885IDH1 3256/4885

“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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