SCHEMBL20140219

SCHEMBL20140219

O=C(O)CCCOc1ccc2ccc(=O)[nH]c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 7/20 0.55
PDE3A Q14432 7/20 0.55
PDE2A O00408 4/20 0.55
P2RY12 Q9H244 4/20 0.55
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.53
PDE5A O76074 1/20 0.53
ALDH1A1 P00352 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
HPGD P15428 1/20 0.53
TSHR P16473 1/20 0.53
PTAFR P25105 1/20 0.53
CYP2C19 P33261 1/20 0.53
BLM P54132 1/20 0.53
PDE1A P54750 1/20 0.53
PDE1B Q01064 1/20 0.53
PMP22 Q01453 1/20 0.53
KMT2A Q03164 1/20 0.53
PDE1C Q14123 1/20 0.53

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
SCHEMBL5630679 0.90 PDE3B (0.60) PDE3BPDE3APDE2AP2RY12KDM4E
SCHEMBL30712216 0.86 DRD2 (0.57) DRD2DRD4DRD3ACHEMAOB
SCHEMBL19732216 0.86 DRD2 (0.57) DRD2DRD4DRD3ACHEMAOB
SCHEMBL9036354 0.86 PDE3B (0.58) PDE3BPDE3APDE2AP2RY12KDM4E
SCHEMBL18496117 0.83 PDE3B (0.53) PDE3BPDE3APDE2AP2RY12KDM4E
SCHEMBL18496133 0.82 PDE2A (0.53) PDE3BPDE3APDE2AP2RY12DRD2
SCHEMBL30712220 0.82 PDE2A (0.53) PDE3BPDE3APDE2AP2RY12DRD2
SCHEMBL10285857 0.82 DRD2 (0.53) PDE3BPDE3AKDM4EMEN1PDE5A
SCHEMBL1039407 0.82 DRD2 (0.52) DRD2DRD4DRD3ACHEMAOB
SCHEMBL14188967 0.81 DRD2 (0.51) DRD2DRD4DRD3ACHEMAOB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018087775-A1 PROCESSES FOR THE PREPARATION OF 7-{4-[4-(1-BENZOTHIOPHEN-4-YL)PIPERAZIN-1-YL]BUTOXY}QUINOLIN-2(1H)-ONE MSN LABORATORIES PRIVATE LIMITED, R&D CENTER (IN) 2018-05-17 WO claimed
US-11279696-B2 Processes for the preparation of 7-{4-[4-(1-benzothiophen-4-yl) piperazin-1-yl]butoxy}quinolin-2(1H)-one MSN LABORATORIES PRIVATE LIMITED (IN) 2022-03-22 US disclosed
WO-2018087775-A1 PROCESSES FOR THE PREPARATION OF 7-{4-[4-(1-BENZOTHIOPHEN-4-YL)PIPERAZIN-1-YL]BUTOXY}QUINOLIN-2(1H)-ONE MSN LABORATORIES PRIVATE LIMITED, R&D CENTER (IN) 2018-05-17 WO disclosed
WO-2018087775-A1 PROCESSES FOR THE PREPARATION OF 7-{4-[4-(1-BENZOTHIOPHEN-4-YL)PIPERAZIN-1-YL]BUTOXY}QUINOLIN-2(1H)-ONE MSN LABORATORIES PRIVATE LIMITED, R&D CENTER (IN) 2018-05-17 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 (1 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-11279696-B2 Processes for the preparation of 7-{4-[4-(1-benzothiophen-4-yl) piperazin-1-yl]butoxy}quinolin-2(1H)-one CYP1B1, CYP4B1, CYP1A1 PDE3B 3559/4885PDE3A 3635/4885PDE2A 3970/4885

“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.