SCHEMBL4724735

SCHEMBL4724735

CCCOc1ccccc1[C]1CNCCO1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 10/20 0.40
PDE4A P27815 2/20 0.40
PDE4B Q07343 2/20 0.40
PDE4C Q08493 2/20 0.40
PDE4D Q08499 2/20 0.40
CYP1A2 P05177 2/20 0.38
CYP19A1 P11511 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTR2B P41595 3/20 0.38
HTR2C P28335 2/20 0.38
HTR2A P28223 2/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
KCNH2 Q12809 1/20 0.38
ALDH1A1 P00352 3/20 0.37
USP2 O75604 2/20 0.37
LMNA P02545 2/20 0.37
KDM4E B2RXH2 2/20 0.37

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
SCHEMBL4723800 0.93 CYP1A2 (0.46) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL4720534 0.89 SLC6A2 (0.47) PDE5ACYP2C9HTR2BHTR2CHTR2A
SCHEMBL3173611 0.81 HTR7 (0.44) CYP2C19HTR2BHTR2CHTR2AALDH1A1
SCHEMBL4722834 0.78 CYP1A2 (0.40) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL4720110 0.77 CYP1A2 (0.40) PDE5APDE4APDE4BPDE4CPDE4D
Morpholine SCHEMBL21359321 0.75 KDM4E (0.50) SLC6A2SLC6A4SLC6A3KCNH2ALDH1A1
SCHEMBL10438816 0.73 HTR7 (0.53) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL4723521 0.72 CYP1A2 (0.40) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL4767379 0.72 SLC6A2 (0.40) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL4720559 0.71 CYP1A2 (0.49) PDE5APDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080176857-A1 4-Piperazinnylthieno[2,3-d]Pyrimidine Compounds as Platelet Aggregation Inhibitors PFIZER INC. 2008-07-24 US disclosed
EP-1874780-A1 4-PIPERAZINYLTHIENO[2,3-D]PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS Pharmacia & Upjohn Company LLC (US) 2008-01-09 EP disclosed
WO-2006100591-A1 4-PIPERAZINNYLTHIENO [2,3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-09-28 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-20080176857-A1 4-Piperazinnylthieno[2,3-d]Pyrimidine Compounds as Platelet Aggregation Inhibitors TBXA2R, P2RY4, PF4 PDE5A 269/4885PDE4A 85/4885PDE4B 128/4885

“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.