SCHEMBL11934985

SCHEMBL11934985

CCCCOc1ccc(NCCCCCNS(=O)(=O)C(C)(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
LMNA P02545 2/20 0.47
HTT P42858 1/20 0.47
EPHX1 P07099 1/20 0.44
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
TSHR P16473 1/20 0.42
CA7 P43166 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
S1PR1 P21453 3/20 0.40
FAAH O00519 1/20 0.40
UNG P13051 2/20 0.40
CNR2 P34972 1/20 0.40
S1PR3 Q99500 2/20 0.40
ADAMTS4 O75173 1/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40

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
SCHEMBL13564783 0.87 NPC1 (0.46) NPC1RAB9ALMNAHTTEPHX1
SCHEMBL13565817 0.87 THRB (0.46) LMNAHTTEPHX1TSHRFAAH
SCHEMBL11935536 0.85 GAA (0.53) NPC1RAB9ACA12CA1CA2
SCHEMBL13565638 0.84 MEN1 (0.40) NPC1RAB9ALMNAHTTEPHX1
SCHEMBL11935371 0.84 ALDH1A1 (0.40) RAB9ALMNAEPHX1CA12CA1
SCHEMBL11934794 0.83 HPGD (0.46) NPC1RAB9ALMNAHTTEPHX1
SCHEMBL13438596 0.83 HPGD (0.46) NPC1RAB9ALMNAHTTEPHX1
SCHEMBL11935543 0.83 KIF11 (0.46) RAB9ALMNAHTTEPHX1CA12
SCHEMBL13565672 0.83 CNR2 (0.42) CNR2
SCHEMBL13565681 0.82 PNLIP (0.42) LMNAHTTEPHX1S1PR1CNR2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139518-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-09-22 US disclosed
US-8299265-B2 Amine derivatives having NPY Y5 receptor antagonistic activity and the uses thereof SHIONOGI & CO., LTD. (JP) 2012-10-30 US disclosed
US-8227618-B2 Amine-derivatives having NPY Y5 receptor antagonistic activity and the uses thereof SHIONOGI & CO., LTD. (JP) 2012-07-24 US disclosed
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF SHIONOGI & CO., LTD. (JP) 2010-10-28 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-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R NPC1 2946/4885RAB9A 2804/4885LMNA 3184/4885

“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.