SCHEMBL5404909

SCHEMBL5404909

CC(=O)c1cccc(-c2ccc3c(N4CCCC4)nc(C)nc3c2)c1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.66
DHFR P00374 1/20 0.53
EGLN1 Q9GZT9 3/20 0.52
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
MAPT P10636 1/20 0.46
NPY5R Q15761 8/20 0.46
CNR2 P34972 1/20 0.43
ACP1 P24666 1/20 0.42

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
SCHEMBL5402069 0.83 MEN1 (0.54) HRH4EGLN1MEN1KMT2ANPY5R
SCHEMBL5404396 0.81 MEN1 (0.54) HRH4EGLN1MEN1KMT2ANPY5R
SCHEMBL5406200 0.81 MEN1 (0.54) HRH4EGLN1MEN1KMT2ANPY5R
SCHEMBL5395227 0.80 MEN1 (0.56) HRH4EGLN1MEN1KMT2ANPY5R
SCHEMBL5420536 0.80 MEN1 (0.56) HRH4EGLN1MEN1KMT2ANPY5R
SCHEMBL5401967 0.79 KMT2A (0.52) HRH4EGLN1MEN1KMT2AMAPT
SCHEMBL7147827 0.79 MEN1 (0.49) HRH4EGLN1MEN1KMT2ANPY5R
SCHEMBL5408413 0.79 MEN1 (0.46) HRH4EGLN1MEN1KMT2ANPY5R
SCHEMBL5406793 0.78 KDM4E (0.54) HRH4MEN1KMT2AMAPTNPY5R
SCHEMBL5412855 0.78 CYP1A2 (0.53) HRH4EGLN1MEN1KMT2ANPY5R

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-7265125-B2 Neuropeptide Y antagonists HOFFMANN-LA ROCHE INC. (US) 2007-09-04 US disclosed
US-20050176698-A1 Neuropeptide Y antagonists BREU VOLKER (DE) 2005-08-11 US disclosed
US-6900226-B2 Neuropeptide Y antagonists HOFFMAN-LA ROCHE INC. (US) 2005-05-31 US disclosed
US-20020052356-A1 Neuropeptide Y antagonists F.HOFFMANN-LA ROCHE AG (CH) 2002-05-02 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-20050176698-A1 Neuropeptide Y antagonists NPY5R, NPY4R, NPY2R HRH4 279/4885DHFR 4641/4885EGLN1 1248/4885
US-20020052356-A1 Neuropeptide Y antagonists NPY5R, NPY4R, NPY2R HRH4 279/4885DHFR 4641/4885EGLN1 1248/4885

“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.