SCHEMBL5401115

SCHEMBL5401115

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

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 6/20 0.54
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
NPY5R Q15761 2/20 0.45
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
SIGMAR1 Q99720 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
SCHEMBL5406808 0.91 NCF1 (0.53) NCF1MEN1KMT2ANPY5RADRB2
SCHEMBL5406191 0.89 NCF1 (0.54) NCF1MEN1KMT2ANPY5RADRB2
SCHEMBL5420543 0.88 NCF1 (0.56) NCF1MEN1KMT2ANPY5RADRB2
SCHEMBL5419177 0.88 NCF1 (0.56) NCF1MEN1KMT2ANPY5RADRB2
SCHEMBL5406717 0.84 NCF1 (0.51) NCF1NPY5RADRB2ADRB1
SCHEMBL5397410 0.84 NCF1 (0.72) NCF1MEN1KMT2ANPY5RADRB2
SCHEMBL5401181 0.83 NCF1 (0.74) NCF1MEN1KMT2ANPY5RADRB2
SCHEMBL5405102 0.81 NCF1 (0.56) NCF1MEN1KMT2A
SCHEMBL5405742 0.81 NCF1 (0.56) NCF1MEN1KMT2ANPY5RADRB2
SCHEMBL5397658 0.81 NCF1 (0.56) NCF1MEN1KMT2ANPY5RADRB2

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 1230/4885MEN1 581/4885KMT2A 2473/4885
US-20020052356-A1 Neuropeptide Y antagonists NPY5R, NPY4R, NPY2R NCF1 1230/4885MEN1 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.