SCHEMBL5405573

SCHEMBL5405573

Cc1cc(N2CCCC2)c2ccc(-c3ccc(Oc4ccccc4)cc3)cc2n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 7/20 0.62
ADRB2 P07550 1/20 0.50
ADRB1 P08588 1/20 0.50
NPY5R Q15761 1/20 0.47
KDM4E B2RXH2 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
HTT P42858 3/20 0.45
MAPT P10636 3/20 0.45
MAPK1 P28482 2/20 0.45
RECQL P46063 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HSD17B10 Q99714 2/20 0.45
USP2 O75604 1/20 0.45
LMNA P02545 1/20 0.45
PKM P14618 1/20 0.45
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43

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
SCHEMBL5397410 0.90 NCF1 (0.72) NCF1ADRB2ADRB1NPY5RKDM4E
SCHEMBL5401181 0.89 NCF1 (0.74) NCF1ADRB2ADRB1NPY5RKDM4E
SCHEMBL5405102 0.86 NCF1 (0.56) NCF1KDM4EMAPTSMN1; SMN2HSD17B10
SCHEMBL5402285 0.85 NCF1 (0.58) NCF1NPY5RKDM4EMAPTSMN1; SMN2
SCHEMBL5411904 0.85 NCF1 (0.64) NCF1ADRB2ADRB1NPY5RKDM4E
SCHEMBL5412027 0.83 NCF1 (0.55) NCF1ADRB2ADRB1NPY5RKDM4E
SCHEMBL5406717 0.82 NCF1 (0.51) NCF1ADRB2ADRB1NPY5RMAPT
SCHEMBL5404474 0.81 NCF1 (0.52) NCF1ADRB2ADRB1NPY5RKDM4E
SCHEMBL5402141 0.80 NCF1 (0.51) NCF1ADRB2ADRB1NPY5RKDM4E
SCHEMBL5405742 0.79 NCF1 (0.56) NCF1ADRB2ADRB1NPY5RKDM4E

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 1230/4885ADRB2 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.