SCHEMBL11935693

SCHEMBL11935693

CC(C)(C)S(=O)(=O)NCCCCCNc1ccc(-c2cnco2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 2/20 0.46
IMPDH1 P20839 1/20 0.46
KMT2A Q03164 2/20 0.44
POLB P06746 1/20 0.44
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
PKM P14618 3/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 1/20 0.40
AAK1 Q2M2I8 1/20 0.40
NPC1 O15118 4/20 0.39
KDM4E B2RXH2 3/20 0.39
RAB9A P51151 3/20 0.39
ALDH1A1 P00352 2/20 0.39

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
SCHEMBL13565354 0.84 NPY5R (0.45) IMPDH2IMPDH1KMT2APOLBCYP3A4
SCHEMBL10115157 0.84 IMPDH2 (0.52) IMPDH2IMPDH1KMT2APOLBPKM
SCHEMBL13565920 0.81 CYP1A2 (0.39) KMT2APOLBCYP2D6MEN1NPC1
SCHEMBL11935675 0.81 TAAR1 (0.41) KMT2APOLBCYP3A4PKMLMNA
SCHEMBL17090274 0.78 IMPDH2 (0.35) IMPDH2IMPDH1AAK1EDNRBEDNRA
SCHEMBL13565776 0.77 HDAC1 (0.42) KMT2APOLBPKMLMNAMEN1
SCHEMBL11935837 0.77 PKM (0.45) IMPDH2IMPDH1KMT2APOLBCYP3A4
SCHEMBL13564925 0.77 HDAC1 (0.42) KMT2APOLBPKMLMNAMEN1
SCHEMBL13565652 0.77 KMT2A (0.50) IMPDH2IMPDH1KMT2APOLBCYP3A4
SCHEMBL13565794 0.77 LTA4H (0.43) EDNRBEDNRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9150507-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-10-06 US disclosed
US-9150507-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-10-06 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-8227618-B2 Amine-derivatives having NPY Y5 receptor antagonistic activity and the uses thereof SHIONOGI & CO., LTD. (JP) 2012-07-24 US disclosed
US-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF SHIONOGI & CO., LTD. (JP) 2010-10-28 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
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF SHIONOGI & CO., LTD. (JP) 2010-10-28 US disclosed
US-20100267945-A1 AMINE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY SHIONOGI & CO., LTD. (JP) 2010-10-21 US disclosed
US-20100063027-A1 Amine Derivative Having NPY Y5 Receptor Antagonistic Activity SHIONOGI & CO., LTD. (JP) 2010-03-11 US disclosed
US-20100063027-A1 Amine Derivative Having NPY Y5 Receptor Antagonistic Activity SHIONOGI & CO., LTD. (JP) 2010-03-11 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 (4 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-20100063027-A1 Amine Derivative Having NPY Y5 Receptor Antagonistic Activity NPY5R, NPY1R, NPY2R IMPDH2 4210/4885IMPDH1 4215/4885KMT2A 2031/4885
US-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R IMPDH2 4178/4885IMPDH1 4293/4885KMT2A 2321/4885
US-20100267945-A1 AMINE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R IMPDH2 3548/4885IMPDH1 3716/4885KMT2A 2517/4885
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R IMPDH2 4317/4885IMPDH1 4299/4885KMT2A 2200/4885

“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.