SCHEMBL4723337

SCHEMBL4723337

CCCOc1ccccc1-n1[c]ncc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.41
PDE5A O76074 2/20 0.40
TLR8 Q9NR97 1/20 0.38
HTR1B P28222 5/20 0.38
HTR1D P28221 2/20 0.38
CYP2A6 P11509 1/20 0.38
GRM5 P41594 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL4723386 0.93 CYP1A2 (0.44) MCHR1PDE5ATLR8HTR1BHTR1D
SCHEMBL4724384 0.88 ALDH1A1 (0.46) SMN1; SMN2DRD2DRD3ALDH1A1
SCHEMBL2092603 0.80 MGLL (0.42) DRD2DRD3CYP2C19ALDH1A1
SCHEMBL2091027 0.77 MCHR1 (0.41) MCHR1ALDH1A1
SCHEMBL4722612 0.76 SMN1; SMN2 (0.38) MCHR1PDE5ATLR8HTR1BCYP2A6
SCHEMBL9162678 0.76 CYP2D6 (0.47) SMN1; SMN2CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL2092058 0.73 HCAR1 (0.40) GRM5
SCHEMBL4724604 0.71 TLR8 (0.38) MCHR1PDE5ATLR8SMN1; SMN2DRD2
SCHEMBL2098736 0.70 CYP2D6 (0.54) CYP1A2CYP2C9CYP2C19
1,2-Dipropoxybenzene SCHEMBL578657 0.69 CYP1A2 (0.56) MCHR1TLR8CYP2A6CYP1A2CYP2C9

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 MCHR1 3639/4885PDE5A 269/4885TLR8 1678/4885

“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.