SCHEMBL16100677

SCHEMBL16100677

CCOC(=O)c1cc2n(n1)CCCN(C(=O)CBr)C2

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.35
▸ RAB9A P51151 4/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ HDAC6 Q9UBN7 2/20 0.35
▸ FAAH O00519 1/20 0.35
▸ ATM Q13315 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ TSHR P16473 1/20 0.34

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
SCHEMBL24812522 0.87 RAB9A (0.37) NPC1RAB9AKMT2AKDM4ERXFP1
SCHEMBL24813043 0.82 ADORA1 (0.43) KMT2AKDM4EATMALDH1A1SMN1; SMN2
SCHEMBL16100214 0.79 GRM5 (0.36) —
SCHEMBL26969122 0.79 HDAC6 (0.43) KMT2AHDAC6CYP1A2ALDH1A1SMN1; SMN2
SCHEMBL16129709 0.79 HPGD (0.39) NPC1RAB9AKMT2AKDM4EATM
SCHEMBL16100257 0.79 HRH3 (0.36) KMT2AALDH1A1SMN1; SMN2L3MBTL1TSHR
SCHEMBL2929174 0.79 NPC1 (0.41) NPC1RAB9AKMT2AKDM4ERXFP1
SCHEMBL16099794 0.78 BTK (0.35) RAB9AKMT2AKDM4EFAAHATM
SCHEMBL16103041 0.78 ENPP2 (0.42) —
SCHEMBL2928372 0.77 NPC1 (0.43) NPC1RAB9AKMT2AKDM4ERXFP1

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-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
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 NPC1 108/4885RAB9A 1805/4885KMT2A 4612/4885
US-20160039825-A1 S1P AND/OR ATX MODULATING AGENTS ENPP2, S1PR1, S1PR2 NPC1 1600/4885RAB9A 1680/4885KMT2A 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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