SCHEMBL5404454

SCHEMBL5404454

CC(=O)Nc1cccc(-c2ccc3c(N4CCCC4)cc(C)nc3c2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
HTR1A P08908 1/20 0.52
DRD2 P14416 1/20 0.52
HTR1D P28221 1/20 0.52
HTR1B P28222 1/20 0.52
HTR2A P28223 1/20 0.52
HTR2C P28335 1/20 0.52
HTR7 P34969 1/20 0.52
DRD3 P35462 1/20 0.52
HTR2B P41595 1/20 0.52
KCNH2 Q12809 1/20 0.52
NCF1 P14598 2/20 0.50
HSD17B1 P14061 2/20 0.49
HSD17B2 P37059 2/20 0.49
ALDH1A1 P00352 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
GAA P10253 1/20 0.47
CYP2D6 P10635 1/20 0.47

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
SCHEMBL5412918 0.90 MEN1 (0.57) MEN1KMT2AHTR1ADRD2HTR1D
SCHEMBL5401526 0.81 NCF1 (0.58) MEN1KMT2ANCF1HSD17B1HSD17B2
SCHEMBL5397410 0.80 NCF1 (0.72) MEN1KMT2ANCF1KDM4EUSP2
SCHEMBL5406740 0.80 NCF1 (0.53) MEN1KMT2ANCF1USP2MAPT
SCHEMBL5401181 0.79 NCF1 (0.74) MEN1KMT2ANCF1KDM4EUSP2
SCHEMBL5404498 0.79 NCF1 (0.55) MEN1KMT2ANCF1MAPT
Cyclopropane SCHEMBL5025453 0.78 NCF1 (0.61) MEN1KMT2ANCF1ALDH1A1GAA
SCHEMBL5406751 0.78 NCF1 (0.58) MEN1KMT2AHTR1AHTR1DHTR1B
SCHEMBL5397556 0.78 NCF1 (0.58) MEN1KMT2ANCF1MAP4K4KDM4E
SCHEMBL5405771 0.78 NCF1 (0.60) NCF1MAP4K4KDM4EUSP2MAPT

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 6 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
EP-1318981-A2 QUINOLINE AND QUINAZOLINE DERIVATIVES AS LIGANDS FOR THE NEUROPEPTIDE Y RECEPTOR F. HOFFMANN-LA ROCHE AG (CH) 2003-06-18 EP disclosed
US-20020052356-A1 Neuropeptide Y antagonists F.HOFFMANN-LA ROCHE AG (CH) 2002-05-02 US disclosed
WO-2002020488-A2 QUINOLINE AND QUINAZOLINE DERIVATIVES AS LIGANDS FOR THE NEUROPEPTIDE Y RECEPTOR F. HOFFMANN-LA ROCHE AG (CH) 2002-03-14 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 (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 MEN1 581/4885KMT2A 2473/4885HTR1A 257/4885
US-20020052356-A1 Neuropeptide Y antagonists NPY5R, NPY4R, NPY2R MEN1 581/4885KMT2A 2473/4885HTR1A 257/4885

“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.