SCHEMBL10151151

SCHEMBL10151151

FC(F)(F)c1ccc2[nH]c(C3CCNCC3)cc2c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.51
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46
PLAT P00750 5/20 0.41
HRH4 Q9H3N8 1/20 0.40
MAPK1 P28482 1/20 0.39
CHRNB2 P17787 2/20 0.39
CHRNA4 P43681 2/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
TLR9 Q9NR96 1/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
CACNA1G O43497 1/20 0.38
CACNA1H O95180 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
SCHEMBL7859535 0.77 HRH4 (0.46) MEN1KMT2AHRH4MAPK1TLR9
SCHEMBL23010839 0.77 TLR9 (0.47) HTR2CHRH4TLR9TLR8TLR7
SCHEMBL17540810 0.76 METAP2 (0.41) HTR2CCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL13334409 0.75 KIF11 (0.40) HRH4
SCHEMBL29688552 0.74 MAOB (0.49) HTR2CHRH4
SCHEMBL1237690 0.74 MAOB (0.49) HTR2CHRH4
SCHEMBL13256564 0.74 HTR2C (0.49) HTR2CMEN1POLBKMT2AMAPK1
SCHEMBL8528320 0.74 NPY5R (0.45) MEN1KMT2AHRH4
Hydrochloric Acid SCHEMBL15310348 0.73 HTR2C (0.50) HTR2CMEN1POLBKMT2AMAPK1
SCHEMBL12058890 0.72 MAPT (0.53) MEN1POLBKMT2AHRH4

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-8889674-B2 Piperidine and pyrrolidine derivatives having NPY Y5 receptor antagonism SHIONOGI & CO., LTD. (JP) 2014-11-18 US disclosed
EP-2404902-A1 PIPERIDINE AND PYRROLIDINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISM Shionogi&Co., Ltd. (JP) 2012-01-11 EP disclosed
US-20110319412-A1 PIPERIDINE AND PYRROLIDINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISM SHIONOGI & CO., LTD. (JP) 2011-12-29 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-20110319412-A1 PIPERIDINE AND PYRROLIDINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISM NPY5R, NPY1R, NPY2R HTR2C 267/4885MEN1 3246/4885POLB 3701/4885

“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.