SCHEMBL5131965

SCHEMBL5131965

Cc1ccccc1C(=O)Nc1ccc(N2CC[N]CC2)c(Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.60
MAPT P10636 8/20 0.60
NPC1 O15118 6/20 0.60
SMN1; SMN2 Q16637 5/20 0.60
NFKB1 P19838 1/20 0.60
NFKB2 Q00653 1/20 0.60
RELA Q04206 1/20 0.60
CHRM1 P11229 3/20 0.59
CHRM5 P08912 2/20 0.59
CHRM3 P20309 2/20 0.59
ALDH1A1 P00352 7/20 0.58
HPGD P15428 3/20 0.58
MAPK1 P28482 3/20 0.58
USP2 O75604 2/20 0.58
TP53 P04637 2/20 0.58
LMNA P02545 2/20 0.58
HTT P42858 1/20 0.58
HSD17B10 Q99714 1/20 0.58
GRM4 Q14833 1/20 0.57
DHODH Q02127 1/20 0.56

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
SCHEMBL5133101 0.87 CRACR2A (0.56) RAB9AMAPTNPC1SMN1; SMN2ALDH1A1
SCHEMBL5080980 0.78 NPY2R (0.73) RAB9AMAPTNPC1SMN1; SMN2NFKB1
SCHEMBL4255638 0.78 DHODH (0.73) RAB9AMAPTNPC1SMN1; SMN2ALDH1A1
SCHEMBL19799127 0.76 DHODH (0.68) RAB9AMAPTNPC1SMN1; SMN2ALDH1A1
SCHEMBL5131350 0.75 KDM4E (0.51) RAB9AMAPTNPC1SMN1; SMN2ALDH1A1
SCHEMBL7334315 0.75 DHODH (0.68) RAB9AMAPTNPC1SMN1; SMN2ALDH1A1
SCHEMBL7331517 0.75 DHODH (0.68) RAB9AMAPTNPC1SMN1; SMN2ALDH1A1
SCHEMBL6816211 0.74 MAPT (0.65) RAB9AMAPTNPC1SMN1; SMN2ALDH1A1
SCHEMBL5133040 0.73 CHRM5 (0.58) RAB9AMAPTNPC1SMN1; SMN2CHRM1
SCHEMBL28677288 0.73 RXFP1 (0.57) RAB9AMAPTNPC1SMN1; SMN2ALDH1A1

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-8183239-B2 Substituted piperazines and piperidines as modulators of the neuropeptide Y2 receptor JANSSEN PHARMACEUTICA NV (BE) 2012-05-22 US 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 RAB9A 4269/4885MAPT 4559/4885NPC1 3192/4885

“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.