SCHEMBL5402178

SCHEMBL5402178

Cc1cc(N2CCc3ccccc3C2)c2ccc(-c3cccc(C(F)(F)F)c3)cc2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 1/20 0.51
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PRMT5 O14744 2/20 0.43
WDR77 Q9BQA1 2/20 0.43
BACE1 P56817 1/20 0.43
ALDH1A1 P00352 1/20 0.42
GRIN2D O15399 2/20 0.42
GRIN3B O60391 2/20 0.42
CHRM1 P11229 2/20 0.42
ADRA1D P25100 2/20 0.42
ADRA1A P35348 2/20 0.42
ADRA1B P35368 2/20 0.42
GRIN1 Q05586 2/20 0.42
GRIN2A Q12879 2/20 0.42
GRIN2B Q13224 2/20 0.42
GRIN2C Q14957 2/20 0.42
GRIN3A Q8TCU5 2/20 0.42
NCF1 P14598 2/20 0.40
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL5400104 0.84 MEN1 (0.50) MEN1KMT2ANCF1KDM4EADRB2
SCHEMBL5406191 0.84 NCF1 (0.54) MEN1KMT2ANCF1KDM4EHPGD
SCHEMBL5420543 0.83 NCF1 (0.56) MEN1KMT2ANCF1KDM4EHPGD
SCHEMBL5419177 0.83 NCF1 (0.56) MEN1KMT2ANCF1KDM4EHPGD
SCHEMBL5407126 0.81 NCF1 (0.58) MEN1KMT2AALDH1A1NCF1KDM4E
Hydrochloric Acid SCHEMBL6158550 0.77 ASIC3 (0.76) ASIC3MEN1KMT2AGRIN2DGRIN3B
Hydrochloric Acid SCHEMBL5409449 0.76 ASIC3 (0.58) ASIC3GRIN2DGRIN3BCHRM1ADRA1D
SCHEMBL5406808 0.75 NCF1 (0.53) MEN1KMT2ANCF1KDM4EADRB2
SCHEMBL5401115 0.74 NCF1 (0.54) MEN1KMT2ANCF1ADRB2ADRB1
SCHEMBL5026912 0.73 NCF1 (0.57) ASIC3GRIN2DGRIN3BCHRM1ADRA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6900226-B2 Neuropeptide Y antagonists HOFFMAN-LA ROCHE INC. (US) 2005-05-31 US claimed
US-20020052356-A1 Neuropeptide Y antagonists F.HOFFMANN-LA ROCHE AG (CH) 2002-05-02 US claimed
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 ASIC3 295/4885MEN1 581/4885KMT2A 2473/4885
US-20020052356-A1 Neuropeptide Y antagonists NPY5R, NPY4R, NPY2R ASIC3 295/4885MEN1 581/4885KMT2A 2473/4885

“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.