SCHEMBL5405445

SCHEMBL5405445

Cc1cc(N2CCCC2)c2ccc(-c3cc(Cl)cc(Cl)c3)cc2n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 7/20 0.57
ADRB2 P07550 1/20 0.45
ADRB1 P08588 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
MAPK1 P28482 3/20 0.44
HTT P42858 3/20 0.44
USP2 O75604 2/20 0.44
LMNA P02545 2/20 0.44
TSHR P16473 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PKM P14618 2/20 0.44
HSD17B10 Q99714 2/20 0.44
ALOX15 P16050 1/20 0.44
CASP1 P29466 1/20 0.44
CHKA P35790 1/20 0.43
NPY5R Q15761 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 2/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL5397556 0.90 NCF1 (0.58) NCF1ADRB2ADRB1SMN1; SMN2MAPK1
SCHEMBL5405771 0.89 NCF1 (0.60) NCF1ADRB2ADRB1SMN1; SMN2MAPK1
SCHEMBL5412454 0.87 NCF1 (0.57) NCF1ADRB2ADRB1SMN1; SMN2MAPK1
SCHEMBL5409460 0.86 NCF1 (0.53) NCF1ADRB2ADRB1SMN1; SMN2MAPK1
SCHEMBL5416597 0.85 NCF1 (0.58) NCF1ADRB2ADRB1SMN1; SMN2MAPK1
SCHEMBL5397410 0.84 NCF1 (0.72) NCF1ADRB2ADRB1SMN1; SMN2MAPK1
SCHEMBL5401181 0.83 NCF1 (0.74) NCF1ADRB2ADRB1SMN1; SMN2MAPK1
SCHEMBL5398793 0.82 NCF1 (0.57) NCF1ADRB2ADRB1SMN1; SMN2MAPK1
SCHEMBL5411904 0.82 NCF1 (0.64) NCF1ADRB2ADRB1SMN1; SMN2MAPK1
SCHEMBL5409100 0.81 NCF1 (0.60) NCF1ADRB2ADRB1SMN1; SMN2MAPK1

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
EP-1318981-A2 QUINOLINE AND QUINAZOLINE DERIVATIVES AS LIGANDS FOR THE NEUROPEPTIDE Y RECEPTOR F. HOFFMANN-LA ROCHE AG (CH) 2003-06-18 EP claimed
WO-2002020488-A2 QUINOLINE AND QUINAZOLINE DERIVATIVES AS LIGANDS FOR THE NEUROPEPTIDE Y RECEPTOR F. HOFFMANN-LA ROCHE AG (CH) 2002-03-14 WO 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 NCF1 1230/4885ADRB2 1081/4885ADRB1 1077/4885
US-20020052356-A1 Neuropeptide Y antagonists NPY5R, NPY4R, NPY2R NCF1 1230/4885ADRB2 1081/4885ADRB1 1077/4885

“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.