SCHEMBL4723646

SCHEMBL4723646

COc1ccccc1N1CCC[N]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.49
DRD3 P35462 3/20 0.49
HTR3E A5X5Y0 1/20 0.47
HTR3B O95264 1/20 0.47
ADRB1 P08588 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTR3A P46098 1/20 0.47
HTR6 P50406 1/20 0.47
HTR3D Q70Z44 1/20 0.47
HTR3C Q8WXA8 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
MAPT P10636 4/20 0.46
LMNA P02545 3/20 0.46
ALDH1A1 P00352 4/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
USP2 O75604 1/20 0.44
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL4720576 0.82 ALDH1A1 (0.50) DRD2DRD3MAPTALDH1A1HPGD
SCHEMBL3165674 0.72 DRD2 (0.72) DRD2DRD3HTR3EHTR3BADRB1
SCHEMBL30407688 0.72 DRD2 (0.72) DRD2DRD3HTR3EHTR3BADRB1
SCHEMBL217093 0.71 DRD2 (0.66) DRD2DRD3HTR3EHTR3BADRB1
SCHEMBL3174809 0.71 DRD2 (0.70) DRD2DRD3HTR3EHTR3BADRB1
SCHEMBL3020451 0.71 DRD2 (0.70) DRD2DRD3HTR3EHTR3BADRB1
Hydrochloric Acid SCHEMBL26690632 0.71 MAPT (0.71) DRD2DRD3HTR3EHTR3BADRB1
SCHEMBL7721915 0.70 DRD2 (0.46) DRD2DRD3HTR3EHTR3BADRB1
SCHEMBL9526010 0.68 DRD2 (0.56) DRD2DRD3HTR3EHTR3BADRB1
SCHEMBL18622669 0.68 SIGMAR1 (0.51) DRD2DRD3HTR3EHTR3BADRB1

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 DRD2 539/4885DRD3 509/4885HTR3E 124/4885

“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.