SCHEMBL5084481

SCHEMBL5084481

N#CC(=C1CCNCC1)c1cccc(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.46
OPRD1 P41143 2/20 0.46
ABCB11 O95342 1/20 0.46
KCNH2 Q12809 1/20 0.46
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
PARP1 P09874 1/20 0.38
MAPT P10636 4/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
LMNA P02545 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
HTR7 P34969 2/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
PLA2G7 Q13093 1/20 0.36
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 2/20 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
Hydrochloric Acid SCHEMBL29205174 0.83 OPRD1 (0.33) OPRM1OPRD1ABCB11KCNH2CES2
SCHEMBL12829020 0.81 OPRD1 (0.43) OPRM1OPRD1ABCB11KCNH2CES2
Hydrochloric Acid SCHEMBL27166047 0.81 HTR2C (0.39) OPRM1OPRD1PARP1MAPTNPC1
Hydrochloric Acid SCHEMBL30055362 0.81 HTR2C (0.39) OPRM1OPRD1PARP1MAPTNPC1
SCHEMBL1472474 0.80 CHRNB2 (0.41) OPRM1OPRD1MAPTNPC1RAB9A
SCHEMBL12829021 0.80 PROKR1 (0.46) OPRM1OPRD1ABCB11KCNH2CES2
Hydrochloric Acid SCHEMBL27166094 0.80 OPRD1 (0.43) OPRM1OPRD1ABCB11KCNH2CES2
SCHEMBL14415620 0.79 OPRD1 (0.65) OPRM1OPRD1ABCB11KCNH2CES2
Hydrochloric Acid SCHEMBL30056611 0.79 CES2 (0.37) OPRM1OPRD1ABCB11KCNH2CES2
Hydrochloric Acid SCHEMBL27166115 0.79 CES2 (0.37) OPRM1OPRD1ABCB11KCNH2CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183239-B2 Substituted piperazines and piperidines as modulators of the neuropeptide Y2 receptor JANSSEN PHARMACEUTICA NV (BE) 2012-05-22 US disclosed
EP-1948629-A1 SUBSTITUTED PIPERAZINES AND PIPERIDINES AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2008-07-30 EP disclosed
WO-2007053436-A1 SUBSTITUTED PIPERAZINES AND PIPERIDINES AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-10 WO disclosed
US-20070100141-A1 SUBSTITUTED PIPERAZINES AND PIPERIDINES AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-03 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-20070100141-A1 SUBSTITUTED PIPERAZINES AND PIPERIDINES AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR NPY2R, NPY5R, NPY4R OPRM1 168/4885OPRD1 120/4885ABCB11 4540/4885

“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.