SCHEMBL11935481

SCHEMBL11935481

NC1CCC(CNc2nnc(C(F)(F)F)s2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.42
CA1 P00915 1/20 0.42
CA4 P22748 1/20 0.42
CA5A P35218 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
HTT P42858 5/20 0.40
LMNA P02545 4/20 0.38
POLB P06746 2/20 0.38
ALDH1A1 P00352 1/20 0.36
NPC1 O15118 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
RAB9A P51151 2/20 0.35
S1PR2 O95136 1/20 0.35
GAA P10253 1/20 0.35
XBP1 P17861 1/20 0.35
HIF1A Q16665 1/20 0.35
MEN1 O00255 1/20 0.35
CASP3 P42574 1/20 0.35
KMT2A Q03164 1/20 0.35
SENP8 Q96LD8 1/20 0.35

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
SCHEMBL13439213 1.00 CA2 (0.42) CA2CA1CA4CA5ACA5B
SCHEMBL11935329 0.76 CA2 (0.40) CA2CA1CA4CA5ACA5B
SCHEMBL13439010 0.76 CA2 (0.40) CA2CA1CA4CA5ACA5B
SCHEMBL13565319 0.75 CA2 (0.39) CA2CA1CA4CA5ACA5B
SCHEMBL17090402 0.75 CA2 (0.39) CA2CA1CA4CA5ACA5B
SCHEMBL11934805 0.72 ACHE (0.41) CA2ALDH1A1NPC1SMN1; SMN2RAB9A
SCHEMBL13439163 0.72 ACHE (0.41) CA2ALDH1A1NPC1SMN1; SMN2RAB9A
SCHEMBL11865138 0.69 HTT (0.49) CA2CA1CA4CA5ACA5B
SCHEMBL11352476 0.67 CA1 (0.47) CA2CA1CA4CA5ACA5B
SCHEMBL2638722 0.67 CRHR1 (0.48) CA2HTTALDH1A1NPC1SMN1; SMN2

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 CA2 1202/4885CA1 2981/4885CA4 3090/4885
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R CA2 1168/4885CA1 2434/4885CA4 2851/4885

“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.