SCHEMBL4767284

SCHEMBL4767284

CCCCOc1co[c]c1-c1cccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 8/20 0.46
GAA P10253 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CNR2 P34972 4/20 0.45
CNR1 P21554 3/20 0.45
HTR1D P28221 2/20 0.44
CYP2C9 P11712 2/20 0.41
SLC6A4 P31645 1/20 0.40
HRH1 P35367 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP19A1 P11511 1/20 0.40
CYP2C19 P33261 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA7 P36544 1/20 0.40

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
SCHEMBL4722971 0.93 CNR1 (0.44) HTR1BGAATDP1L3MBTL1CNR2
SCHEMBL4724628 0.87 ENPP1 (0.49) HTR1BCHRNB4CHRNA3CHRNA7
SCHEMBL4722062 0.80 MAPT (0.43) L3MBTL1CNR2CYP1A2
SCHEMBL4765647 0.78 CYP2C9 (0.46) GAATDP1L3MBTL1CYP2C9CYP1A2
SCHEMBL4722874 0.77 HTR1B (0.45) HTR1BGAATDP1L3MBTL1CNR2
SCHEMBL4721628 0.76 HTR1B (0.47) HTR1BGAATDP1L3MBTL1CNR2
SCHEMBL4723799 0.75 HTR1B (0.43) HTR1BGAATDP1L3MBTL1CNR2
SCHEMBL1004658 0.74 HTR1B (0.73) HTR1BCNR2CNR1HTR1DSLC6A4
SCHEMBL4720726 0.74 TLR8 (0.39) HTR1BGAATDP1L3MBTL1CNR2
SCHEMBL4724671 0.74 HTR1B (0.44) HTR1BGAATDP1L3MBTL1CNR2

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 HTR1B 111/4885GAA 3876/4885TDP1 1332/4885

“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.