SCHEMBL17700604

SCHEMBL17700604

COc1cc(NCC(C)C)ccn1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LOX P28300 1/20 0.45
LOXL2 Q9Y4K0 1/20 0.45
AAK1 Q2M2I8 8/20 0.40
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
HRH4 Q9H3N8 4/20 0.38
CYP3A4 P08684 1/20 0.38
SORT1 Q99523 1/20 0.37
ACACB O00763 1/20 0.37
EGLN1 Q9GZT9 1/20 0.36
APP P05067 1/20 0.36

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
SCHEMBL6218602 0.81 LOX (0.49) LOXLOXL2PSEN1PSEN2APH1B
SCHEMBL12763803 0.77 UHRF1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL24127759 0.77 LOX (0.44) LOXLOXL2AAK1SORT1ACACB
SCHEMBL19030651 0.77 LOX (0.53) LOXLOXL2SORT1
SCHEMBL12764425 0.76 ESR1 (0.44) LOXLOXL2AAK1PSEN1PSEN2
SCHEMBL26045171 0.75 TDP1 (0.48) LOXLOXL2CYP3A4SORT1ACACB
SCHEMBL8348534 0.75 KMT2A (0.49)
SCHEMBL883726 0.74 LOX (0.48) LOXLOXL2SORT1
SCHEMBL7013357 0.74 NOS2 (0.53) LOXLOXL2CYP3A4
SCHEMBL29245697 0.74 SORT1 (0.43) LOXLOXL2SORT1ACACB

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
WO-2021136354-A1 BIPHENYL DERIVATIVE INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF 上海翰森生物医药科技有限公司 2021-07-08 WO disclosed
EP-3031799-B1 AROMATIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2018-04-04 EP disclosed
US-9776962-B2 Aromatic compounds with GPR40 agonistic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-10-03 US disclosed
EP-3031799-A1 AROMATIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2016-06-15 EP disclosed
US-20160115128-A1 AROMATIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-04-28 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-20160115128-A1 AROMATIC COMPOUND GLP1R, GPR119, GPR39 LOX 2825/4885LOXL2 2312/4885AAK1 362/4885

“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.