SCHEMBL4724465

SCHEMBL4724465

CCCOc1ccccc1N1CCC[N]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.44
DRD3 P35462 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 4/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MCHR1 Q99705 1/20 0.38
NPC1 O15118 1/20 0.38
CYP2D6 P10635 3/20 0.37
CYP1A2 P05177 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KCNH2 Q12809 1/20 0.36
CYP2C19 P33261 2/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
DRD4 P21917 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL4720213 0.93 DRD2 (0.49) DRD2DRD3ALDH1A1L3MBTL1MCHR1
SCHEMBL4720576 0.88 ALDH1A1 (0.50) DRD2DRD3SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL4723646 0.80 DRD2 (0.49) DRD2DRD3SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL9500980 0.76 DRD2 (0.52) DRD2DRD3SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL6927912 0.70 HTR1A (0.64) DRD2DRD3SLC6A2SLC6A4SLC6A3
SCHEMBL10274496 0.70 SMN1; SMN2 (0.48) DRD2DRD3SMN1; SMN2ALDH1A1NPC1
1,2-Dipropoxybenzene SCHEMBL29428926 0.69 CYP1A2 (0.56) ALDH1A1L3MBTL1MCHR1NPC1CYP2D6
1,2-Dipropoxybenzene SCHEMBL578657 0.69 CYP1A2 (0.56) ALDH1A1L3MBTL1MCHR1NPC1CYP2D6
SCHEMBL11819234 0.69 SMN1; SMN2 (0.50) DRD2DRD3SMN1; SMN2ALDH1A1MCHR1
SCHEMBL9579386 0.69 DRD2 (0.58) DRD2DRD3ALDH1A1L3MBTL1CYP1A2

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 509/4885SMN1; SMN2 4511/4885

“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.