SCHEMBL355437

SCHEMBL355437

CCc1noc(-c2ccc(Br)c(F)c2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.45
CHRNA5 P30532 1/20 0.45
CHRNA4 P43681 1/20 0.45
MAPT P10636 5/20 0.43
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
KDM4E B2RXH2 3/20 0.43
HPGD P15428 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
PKM P14618 1/20 0.43
HSD17B10 Q99714 1/20 0.43
LMNA P02545 2/20 0.41
TP53 P04637 3/20 0.41
S1PR1 P21453 1/20 0.40
CYP1A2 P05177 2/20 0.39
NOTUM Q6P988 2/20 0.39
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ERCC1 P07992 1/20 0.37

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
SCHEMBL27436302 0.81 SMN1; SMN2 (0.44) CHRNB2CHRNA5CHRNA4MAPTALDH1A1
SCHEMBL4668238 0.80 RAB9A (0.54) MAPTALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL4039087 0.80 ACHE (0.53) CHRNB2CHRNA5CHRNA4MAPTSMN1; SMN2
SCHEMBL31435256 0.75 NOTUM (0.42) CHRNB2CHRNA5CHRNA4MAPTALDH1A1
SCHEMBL14591982 0.75 NPC1 (0.50) MAPTALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL14873226 0.74 NPC1 (0.54) MAPTALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL10053916 0.74 MAPT (0.57) MAPTALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL14873195 0.73 RAB9A (0.56) MAPTALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL355497 0.73 NPY2R (0.43) ALDH1A1SMN1; SMN2KDM4EHPGDLMNA
SCHEMBL27436291 0.73 ACHE (0.44) MAPTALDH1A1SMN1; SMN2KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120015957-A1 PIPERAZINYL DERIVATIVES USEFUL AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2012-01-19 US disclosed
WO-2009079593-A1 PIPERAZINYL DERIVATIVES USEFUL AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2009-06-25 WO 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-20120015957-A1 PIPERAZINYL DERIVATIVES USEFUL AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR NPY2R, NPY1R, NPY5R CHRNB2 353/4885CHRNA5 356/4885CHRNA4 648/4885

“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.