SCHEMBL17509128

SCHEMBL17509128

CN1CCN(C(=O)c2cc3n(c2)CCCN(C(=O)OCc2cc(Cl)cc(C(F)(F)F)c2)C3)CC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 8/20 0.45
▸ ATXN2 Q99700 4/20 0.45
▸ KMT2A Q03164 1/20 0.39
▸ EPHX2 P34913 2/20 0.37
▸ HIF1A Q16665 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ TMEM97 Q5BJF2 2/20 0.35
▸ SIGMAR1 Q99720 2/20 0.35
▸ RHOC P08134 1/20 0.35
▸ RHOA P61586 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ GAA P10253 2/20 0.35
▸ POLB P06746 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 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
SCHEMBL16129788 0.88 ENPP2 (0.42) ENPP2ATXN2SIGMAR1RHOCRHOA
SCHEMBL16103009 0.88 ENPP2 (0.45) ENPP2ATXN2SIGMAR1
SCHEMBL16099740 0.86 ENPP2 (0.43) ENPP2ATXN2KMT2AALDH1A1GAA
SCHEMBL16129736 0.82 ENPP2 (0.43) ENPP2ATXN2KMT2AHPGDTMEM97
SCHEMBL16100076 0.79 TACR1 (0.43) ENPP2ATXN2KMT2AHPGDSIGMAR1
SCHEMBL16129639 0.78 ENPP2 (0.45) ENPP2ATXN2EPHX2TMEM97SIGMAR1
SCHEMBL16099892 0.78 ENPP2 (0.43) ENPP2ATXN2
SCHEMBL16102966 0.76 ENPP2 (0.40) ENPP2ATXN2ALDH1A1NPC1RAB9A
SCHEMBL16093852 0.76 ENPP2 (0.47) ENPP2ATXN2SIGMAR1
SCHEMBL16129734 0.76 MEN1 (0.39) ENPP2ATXN2KMT2AEPHX2HIF1A

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-20160039825-A1 S1P AND/OR ATX MODULATING AGENTS BIOGEN MA INC. 2016-02-11 — — 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-20160039825-A1 S1P AND/OR ATX MODULATING AGENTS ENPP2, S1PR1, S1PR2 ENPP2 1/4885ATXN2 110/4885KMT2A 2542/4885

“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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