SCHEMBL5406717

SCHEMBL5406717

Cc1cc(N2CCCC2)c2ccc(-c3ccc(OC(F)(F)F)cc3)cc2n1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 5/20 0.51
GRM2 Q14416 3/20 0.43
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
MAPT P10636 1/20 0.40
CACNA2D1 P54289 1/20 0.40
CACNA2D2 Q9NY47 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
MGAT2 Q10469 1/20 0.39
NPY5R Q15761 1/20 0.39
MCHR1 Q99705 1/20 0.39
TRPV4 Q9HBA0 1/20 0.39
GALR2 O43603 1/20 0.39
CHRM4 P08173 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
SCHEMBL5402141 0.90 NCF1 (0.51) NCF1GRM2ADRB2ADRB1MAPT
SCHEMBL5405102 0.85 NCF1 (0.56) NCF1MAPT
SCHEMBL5401115 0.84 NCF1 (0.54) NCF1ADRB2ADRB1NPY5R
SCHEMBL5402285 0.84 NCF1 (0.58) NCF1MAPTNPY5R
SCHEMBL5405573 0.82 NCF1 (0.62) NCF1ADRB2ADRB1MAPTNPY5R
SCHEMBL5395273 0.82 NCF1 (0.53) NCF1ADRB2ADRB1NPY5R
SCHEMBL5397410 0.81 NCF1 (0.72) NCF1ADRB2ADRB1MAPTNPY5R
SCHEMBL5406808 0.81 NCF1 (0.53) NCF1ADRB2ADRB1MAPTNPY5R
SCHEMBL5405742 0.81 NCF1 (0.56) NCF1ADRB2ADRB1MAPTNPY5R
SCHEMBL5401181 0.80 NCF1 (0.74) NCF1ADRB2ADRB1MAPTNPY5R

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 NCF1 1230/4885GRM2 2735/4885ADRB2 1081/4885
US-20020052356-A1 Neuropeptide Y antagonists NPY5R, NPY4R, NPY2R NCF1 1230/4885GRM2 2735/4885ADRB2 1081/4885

“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.