SCHEMBL19110855

SCHEMBL19110855

Cc1nn(Cc2ccc(F)cc2)c2c1CCN(C(=O)CN[C@H]1CC[C@@H](C(=O)O)CC1)C2

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KCNK3 O14649 7/20 0.43
▸ SIGMAR1 Q99720 3/20 0.41
▸ ENPP2 Q13822 6/20 0.39
▸ IDH1 O75874 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ TMEM97 Q5BJF2 1/20 0.35

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
SCHEMBL19110857 1.00 KCNK3 (0.43) KCNK3SIGMAR1ENPP2IDH1ALDH1A1
SCHEMBL19110856 0.93 KCNK3 (0.44) KCNK3SIGMAR1ENPP2IDH1LMNA
SCHEMBL19110853 0.93 KCNK3 (0.44) KCNK3SIGMAR1ENPP2IDH1LMNA
SCHEMBL17328210 0.88 KCNK3 (0.42) KCNK3SIGMAR1ENPP2IDH1ALDH1A1
SCHEMBL17328195 0.88 KCNK3 (0.42) KCNK3SIGMAR1ENPP2IDH1ALDH1A1
SCHEMBL17317917 0.88 KCNK3 (0.42) KCNK3SIGMAR1ENPP2IDH1ALDH1A1
SCHEMBL19110698 0.87 ENPP2 (0.51) KCNK3SIGMAR1ENPP2
SCHEMBL19110727 0.87 ENPP2 (0.51) KCNK3SIGMAR1ENPP2
SCHEMBL19110741 0.86 KCNK3 (0.43) KCNK3SIGMAR1ENPP2IDH1
SCHEMBL19110738 0.86 KCNK3 (0.43) KCNK3SIGMAR1ENPP2IDH1

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 2505/4885ENPP2 1/4885

“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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