SCHEMBL4720878

SCHEMBL4720878

CCC(C)NC1CCCC[N]1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.35
NOS3 P29474 2/20 0.32
NOS1 P29475 2/20 0.32
NOS2 P35228 2/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
SHBG P04278 1/20 0.30

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
SCHEMBL4723751 0.94 EPHX1 (0.33) EPHX1
SCHEMBL4723336 0.85 CYP2D6 (0.40) NOS3NOS1NOS2
SCHEMBL4724571 0.82 KDM4E (0.43) NOS3NOS1NOS2KDM4ESHBG
SCHEMBL2781515 0.81
SCHEMBL4720321 0.79 CYP2D6 (0.38)
SCHEMBL947063 0.79 NOS3 (0.34) NOS3NOS1NOS2KDM4E
SCHEMBL4721338 0.77 KDM4E (0.35) KDM4E
SCHEMBL948056 0.76
SCHEMBL4720621 0.76 KDM4E (0.40) KDM4E
SCHEMBL4722017 0.76 CYP2D6 (0.31) NOS3NOS1NOS2KDM4E

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 EPHX1 1020/4885NOS3 1350/4885NOS1 2886/4885

“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.