SCHEMBL5363087

SCHEMBL5363087

Cc1cc(OCCCCO)nc2[nH]c(=O)ccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 5/20 0.39
PDE3A Q14432 5/20 0.39
PDE2A O00408 2/20 0.39
P2RY12 Q9H244 2/20 0.39
XDH P47989 2/20 0.39
IKBKB O14920 2/20 0.37
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
HTR2A P28223 1/20 0.34
HTT P42858 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
TLR8 Q9NR97 1/20 0.33
ADRB2 P07550 1/20 0.33
BRD4 O60885 1/20 0.33

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
SCHEMBL5364903 0.90 XDH (0.42) PDE3BPDE3APDE2AP2RY12XDH
SCHEMBL5369161 0.78 HTR1A (0.49) PDE3BPDE3APDE2AP2RY12XDH
SCHEMBL5369045 0.78 PDE3B (0.38) PDE3BPDE3APDE2AP2RY12XDH
SCHEMBL11465109 0.78 ADORA1 (0.46) PDE3BPDE3AKDM4EALDH1A1KMT2A
SCHEMBL5366749 0.75 KDM4E (0.43) PDE3BPDE3APDE2AP2RY12XDH
SCHEMBL5371800 0.73 ADORA2A (0.41) PDE3BPDE3AKDM4EALDH1A1KMT2A
SCHEMBL5363463 0.73 BRD4 (0.43) PDE3BPDE3APDE2AP2RY12XDH
SCHEMBL3320128 0.71 KDM4E (0.64) KDM4EALDH1A1KMT2AMEN1ADORA2A
SCHEMBL5369090 0.69 DRD2 (0.52) PDE3BPDE3APDE2AP2RY12XDH
SCHEMBL5366325 0.68 SMN1; SMN2 (0.45) PDE3BPDE3AKDM4EALDH1A1KMT2A

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-7160888-B2 [1,8]naphthyridin-2-ones and related compounds for the treatment of schizophrenia WARNER LAMBERT COMPANY LLC (US) 2007-01-09 US disclosed
US-20060287309-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA WARNER-LAMBERT COMPANY LLC 2006-12-21 US disclosed
US-20060287310-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA WARNER-LAMBERT COMPANY LLC 2006-12-21 US disclosed
EP-1660497-A1 [ 1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA Warner-Lambert Company LLC (US) 2006-05-31 EP disclosed
WO-2005019215-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA WARNER-LAMBERT COMPANY LLC (US) 2005-03-03 WO disclosed
US-20050043309-A1 [1,8]naphthyridin-2-ones and related compounds for the treatment of schizophrenia WARNER-LAMBERT COMPANY LLC 2005-02-24 US 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 (3 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-20050043309-A1 [1,8]naphthyridin-2-ones and related compounds for the treatment of schizophrenia DRD1, DRD2, DRD3 PDE3B 1360/4885PDE3A 1371/4885PDE2A 977/4885
US-20060287309-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA DRD1, DRD2, DRD3 PDE3B 1360/4885PDE3A 1371/4885PDE2A 977/4885
US-20060287310-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA DRD1, DRD2, DRD3 PDE3B 1360/4885PDE3A 1371/4885PDE2A 977/4885

“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.