SCHEMBL4922497

SCHEMBL4922497

CCCCO[C]1NCCN1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 5/20 0.41
CYP3A4 P08684 4/20 0.41
CYP1A2 P05177 5/20 0.40
CYP2C9 P11712 5/20 0.40
CYP2C19 P33261 5/20 0.40
CYP19A1 P11511 4/20 0.40
LTA4H P09960 3/20 0.39
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
NR5A1 Q13285 1/20 0.38
NPC1 O15118 2/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
CHRM1 P11229 2/20 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
SCHEMBL4919483 0.84
SCHEMBL30605677 0.69 LTA4H (0.46) CYP2D6CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL10692851 0.69 LTA4H (0.46) CYP2D6CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL3011707 0.69 LTA4H (0.41) CYP2D6CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL26850 0.67 LTA4H (0.70) CYP2D6CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL13412631 0.65 CYP1A2 (0.52) CYP2D6CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL2759077 0.65 PLA2G2A (0.55) CYP2D6CYP3A4LTA4HNR5A1RAB9A
SCHEMBL4274917 0.65 LTA4H (0.43) CYP2D6CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL28367744 0.65 CYP1A2 (0.47) CYP2D6CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL4915949 0.65

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-20080200475-A1 4-Piperazinothieno[2,3-D] Pyrimidine Compounds As Platelet Aggregation Inhibitors PFIZER INC. 2008-08-21 US disclosed
EP-1866317-A1 4-PIPERAZINOTHIENO [2, 3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS Pharmacia & Upjohn Company LLC (US) 2007-12-19 EP disclosed
WO-2006103555-A1 4-PIPERAZINOTHIENO [2, 3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-10-05 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-20080200475-A1 4-Piperazinothieno[2,3-D] Pyrimidine Compounds As Platelet Aggregation Inhibitors PF4, TBXA2R, P2RY4 CYP2D6 113/4885CYP3A4 325/4885CYP1A2 578/4885

“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.