SCHEMBL5364903

SCHEMBL5364903

Cc1cc(=O)[nH]c2nc(OCCCCO)ccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.42
PDE2A O00408 2/20 0.39
PDE3B Q13370 2/20 0.39
PDE3A Q14432 2/20 0.39
P2RY12 Q9H244 2/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
KDM4E B2RXH2 7/20 0.38
ALDH1A1 P00352 7/20 0.38
GLA P06280 3/20 0.38
GAA P10253 3/20 0.38
HPGD P15428 2/20 0.38
TP53 P04637 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PPARA Q07869 1/20 0.35
POLB P06746 1/20 0.35
PKM P14618 1/20 0.35
TLR8 Q9NR97 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL5363087 0.90 PDE3B (0.39) XDHPDE2APDE3BPDE3AP2RY12
SCHEMBL5371800 0.84 ADORA2A (0.41) PDE3BPDE3AADORA2AADORA1KDM4E
SCHEMBL5366749 0.81 KDM4E (0.43) XDHPDE2APDE3BPDE3AP2RY12
SCHEMBL5369161 0.78 HTR1A (0.49) XDHPDE2APDE3BPDE3AP2RY12
SCHEMBL5363463 0.78 BRD4 (0.43) XDHPDE2APDE3BPDE3AP2RY12
SCHEMBL5369045 0.73 PDE3B (0.38) XDHPDE2APDE3BPDE3AP2RY12
SCHEMBL11591322 0.71 KDM4E (0.53) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL5372040 0.70 PDE3B (0.40) XDHPDE2APDE3BPDE3AP2RY12
SCHEMBL5363647 0.70 PDE3B (0.40) XDHPDE2APDE3BPDE3AP2RY12
SCHEMBL11465109 0.69 ADORA1 (0.46) PDE3BPDE3AADORA2AADORA1KDM4E

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 XDH 80/4885PDE2A 977/4885PDE3B 1360/4885
US-20060287309-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA DRD1, DRD2, DRD3 XDH 80/4885PDE2A 977/4885PDE3B 1360/4885
US-20060287310-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA DRD1, DRD2, DRD3 XDH 80/4885PDE2A 977/4885PDE3B 1360/4885

“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.