SCHEMBL16099461

SCHEMBL16099461

Cc1ccc(CCC(=O)N2CCn3nc(C(=O)N4CCN(C)CC4)cc3C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 3/20 0.41
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ HTR2C P28335 1/20 0.40
▸ GRM5 P41594 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ GPBAR1 Q8TDU6 1/20 0.38
▸ KDM4C Q9H3R0 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ SIGMAR1 Q99720 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ L3MBTL1 Q9Y468 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
SCHEMBL10195733 0.78 KMT2A (0.57) KMT2AMEN1ALDH1A1TSHRMAPK1
SCHEMBL16099943 0.76 ALDH1A1 (0.55) KMT2AMEN1GRM5ALDH1A1MAPK1
SCHEMBL16099626 0.74 FKBP1A (0.41) KMT2AMEN1GRM5MAPK1
SCHEMBL2526693 0.73 HDAC6 (0.55) HDAC6KMT2AMEN1GRM5ALDH1A1
SCHEMBL16100162 0.70 GRM5 (0.40) HDAC6KMT2AMEN1GRM5
SCHEMBL21753809 0.70 SMN1; SMN2 (0.45) KMT2AMEN1GRM5ALDH1A1
SCHEMBL16100136 0.69 ME2 (0.46) GRM5
SCHEMBL16100125 0.69 PKM (0.55) HDAC6KMT2AMEN1GRM5ALDH1A1
SCHEMBL16100220 0.69 GRM5 (0.39) HDAC6GRM5
SCHEMBL16129893 0.68 TACR1 (0.39) HDAC6KMT2AMEN1HTR2AALDH1A1

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 HDAC6 827/4885KMT2A 4612/4885MEN1 4761/4885
US-20160039825-A1 S1P AND/OR ATX MODULATING AGENTS ENPP2, S1PR1, S1PR2 HDAC6 1150/4885KMT2A 2542/4885MEN1 687/4885

“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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