SCHEMBL11935503

SCHEMBL11935503

NC1CCC(CNc2ccc(-c3cnco3)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.42
LMNA P02545 2/20 0.42
NOTUM Q6P988 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
AAK1 Q2M2I8 1/20 0.41
PTK2 Q05397 1/20 0.41
NPC1 O15118 3/20 0.40
KDM4E B2RXH2 2/20 0.40
RAB9A P51151 2/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SYK P43405 2/20 0.40
KEAP1 Q14145 1/20 0.39
IMPDH2 P12268 1/20 0.39
IMPDH1 P20839 1/20 0.39
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
PSEN1 P49768 1/20 0.38

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
SCHEMBL13439244 1.00 PKM (0.42) PKMLMNANOTUMGAAKMT2A
SCHEMBL13105699 0.79 AAK1 (0.40) PKMLMNANOTUMGAAKMT2A
SCHEMBL13439041 0.79 IMPDH2 (0.41) PKMLMNANOTUMGAAKMT2A
SCHEMBL11941010 0.79 IMPDH2 (0.41) PKMLMNANOTUMGAAKMT2A
SCHEMBL11935485 0.77 NOTUM (0.41) NOTUMKMT2AMEN1KDM4ESYK
SCHEMBL13439220 0.77 NOTUM (0.41) NOTUMKMT2AMEN1KDM4ESYK
SCHEMBL13565171 0.77 AAK1 (0.41) PKMLMNAKMT2AMEN1AAK1
SCHEMBL17090368 0.77 IMPDH2 (0.42) PKMLMNAKMT2AMEN1AAK1
SCHEMBL13438985 0.74 SMYD3 (0.44) FFAR1
SCHEMBL11935284 0.74 SMYD3 (0.44) FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (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-20100063027-A1 Amine Derivative Having NPY Y5 Receptor Antagonistic Activity NPY5R, NPY1R, NPY2R PKM 3330/4885LMNA 3149/4885NOTUM 1567/4885
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R PKM 2707/4885LMNA 3184/4885NOTUM 1343/4885

“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.