SCHEMBL16100239

SCHEMBL16100239

O=C(O)CCc1cc2n(n1)CCCN(C(=O)Cc1ccc(Cl)cc1)C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GFER P55789 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ RXRA P19793 3/20 0.40
▸ RXRB P28702 3/20 0.40
▸ RXRG P48443 3/20 0.40
▸ HSD11B1 P28845 1/20 0.40
▸ ME2 P23368 1/20 0.38
▸ ME1 P48163 1/20 0.38
▸ ME3 Q16798 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ HPGD P15428 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ GPR183 P32249 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37

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
SCHEMBL21752922 0.94 ATM (0.46) GFERATMRXRARXRBRXRG
SCHEMBL16099279 0.88 CA2 (0.43) RXRARXRBRXRGKMT2AGRM5
SCHEMBL16102530 0.85 GRM5 (0.42) ALDH1A1HPGDNPC1SMN1; SMN2GRM5
SCHEMBL16099772 0.84 GRM5 (0.40) POLBKMT2AMEN1NPC1GRM5
SCHEMBL21756473 0.84 ALDH1A1 (0.46) ATMHSD11B1ALDH1A1KMT2ANPC1
SCHEMBL21753810 0.83 ATM (0.47) ATMRXRARXRBRXRGALDH1A1
SCHEMBL21753819 0.83 KMT2A (0.48) KMT2ANPC1GPR183CYP2C9CYP2C19
SCHEMBL21753809 0.83 SMN1; SMN2 (0.45) GFERRXRARXRBRXRGALDH1A1
SCHEMBL21753815 0.83 GRM5 (0.49) ME2ME1ME3POLBKMT2A
SCHEMBL21753812 0.83 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1HPGDNPC1

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 7 patents. 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 claimed
EP-2970302-A1 S1P AND/OR ATX MODULATING AGENTS Biogen MA Inc. (US) 2016-01-20 — — EP claimed
WO-2014152725-A1 S1P AND/OR ATX MODULATING AGENTS BIOGEN IDEC MA INC. (US) 2014-09-25 — — WO claimed
US-20160039825-A1 S1P AND/OR ATX MODULATING AGENTS BIOGEN MA INC. 2016-02-11 — — US disclosed
EP-2970302-A1 S1P AND/OR ATX MODULATING AGENTS Biogen MA Inc. (US) 2016-01-20 — — EP disclosed
US-20150125422-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-05-07 — — US disclosed
WO-2014152725-A1 S1P AND/OR ATX MODULATING AGENTS BIOGEN IDEC MA INC. (US) 2014-09-25 — — 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-20150125422-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, GOT1 GFER 2743/4885ATM 4436/4885RXRA 2129/4885
US-20160039825-A1 S1P AND/OR ATX MODULATING AGENTS ENPP2, S1PR1, S1PR2 GFER 3899/4885ATM 2440/4885RXRA 1622/4885

“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.

Send feedback