SCHEMBL17328154

SCHEMBL17328154

CN(C)c1nn(Cc2ccc(F)cc2)c2c1CCN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 8/20 0.44
KDM1A O60341 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
PTGER4 P35408 1/20 0.40
PREP P48147 2/20 0.39
PKM P14618 1/20 0.39
GRM5 P41594 1/20 0.38
GRM1 Q13255 1/20 0.38
MKNK1 Q9BUB5 2/20 0.38
ESR2 Q92731 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
SCHEMBL19110579 0.87 KCNK3 (0.46) KCNK3KDM1AHDAC1HDAC6PTGER4
SCHEMBL17328152 0.86 F12 (0.47) KCNK3KDM1AHDAC1HDAC6PTGER4
SCHEMBL17317851 0.86 KCNK3 (0.48) KCNK3KDM1AHDAC1HDAC6PTGER4
SCHEMBL17317715 0.86 KCNK3 (0.46) KCNK3
SCHEMBL17317679 0.85 KCNK3 (0.49) KCNK3KDM1AHDAC1HDAC6PTGER4
SCHEMBL17317814 0.85 KCNK3 (0.45) KCNK3KDM1AHDAC1HDAC6PTGER4
SCHEMBL17317618 0.85 KCNK3 (0.45) KCNK3KDM1AHDAC1HDAC6PTGER4
SCHEMBL19110576 0.85 KCNK3 (0.45) KCNK3KDM1AHDAC1HDAC6PTGER4
SCHEMBL17317790 0.85 KCNK3 (0.44) KCNK3KDM1AHDAC1HDAC6PTGER4
SCHEMBL17317641 0.85 KCNK3 (0.44) KCNK3KDM1AHDAC1HDAC6PTGER4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10144732-B2 ATX modulating agents BIOGEN MA INC. (US) 2018-12-04 US disclosed
US-20170197960-A1 ATX MODULATING AGENTS BIOGEN MA INC. 2017-07-13 US disclosed
US-20170197960-A1 ATX MODULATING AGENTS BIOGEN MA INC. 2017-07-13 US disclosed
US-20170197960-A1 ATX MODULATING AGENTS BIOGEN MA INC. 2017-07-13 US disclosed
WO-2015188051-A1 ATX MODULATING AGENTS BIOGEN MA INC. (US) 2015-12-10 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-20170197960-A1 ATX MODULATING AGENTS ENPP2, ATXN10, ATXN2 KCNK3 1825/4885KDM1A 1424/4885HDAC1 996/4885
US-10144732-B2 ATX modulating agents ENPP2, ATXN10, ATXN2 KCNK3 1825/4885KDM1A 1423/4885HDAC1 997/4885

“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.