SCHEMBL4722542

SCHEMBL4722542

CCCCN(CCC)c1[c]c2ccccc2cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.37
BCHE P06276 2/20 0.34
HTR1B P28222 2/20 0.33
MAPT P10636 2/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CRHR1 P34998 1/20 0.32
HTR1D P28221 1/20 0.31
APP P05067 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
UTS2R Q9UKP6 1/20 0.31

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
SCHEMBL2459934 0.97 ELANE (0.38) ELANEBCHEHTR1BMAPTLMNA
SCHEMBL2462799 0.94 BCHE (0.31) BCHEHTR1BMAPTCRHR1HTR1D
SCHEMBL2456814 0.92 ELANE (0.35) ELANEBCHELMNAMAPK1NPSR1
SCHEMBL2456330 0.91 KCNH2 (0.36) ELANELMNAMAPK1NPSR1TDP1
SCHEMBL2460446 0.91 ELANE (0.37) ELANEBCHEHTR1BMAPTLMNA
SCHEMBL4720954 0.87 BCHE (0.30) BCHE
SCHEMBL2459368 0.85 KCNH2 (0.38) ELANEMAPTLMNAMAPK1NPSR1
SCHEMBL4723900 0.83 KDM4E (0.38) ELANEBCHEHTR1BMAPTTDP1
SCHEMBL2460080 0.80 ACP1 (0.33) ELANEBCHEMAPTLMNA
SCHEMBL7772123 0.79 TDP1 (0.34) ELANEBCHEHTR1BLMNANPSR1

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 ELANE 2494/4885BCHE 3103/4885HTR1B 111/4885

“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.