SCHEMBL4922485

SCHEMBL4922485

[CH2]CCCNC(=O)OCCCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.60
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
RECQL P46063 1/20 0.60
CHRNB2 P17787 1/20 0.57
CHRNB4 P30926 1/20 0.57
CHRNA3 P32297 1/20 0.57
CHRNA4 P43681 1/20 0.57
LMNA P02545 2/20 0.54
HTT P42858 1/20 0.51
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51

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
SCHEMBL4920505 0.96 CHRNB2 (0.56) SMN1; SMN2NPC1RAB9ARECQLCHRNB2
SCHEMBL8924878 0.94 CHRNB2 (0.55) SMN1; SMN2NPC1RAB9ARECQLCHRNB2
SCHEMBL4910211 0.93 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9ARECQLCHRNB2
SCHEMBL4924895 0.93 CHRNB2 (0.55) SMN1; SMN2NPC1RAB9ARECQLCHRNB2
SCHEMBL8923767 0.90 CHRNB2 (0.54) SMN1; SMN2NPC1RAB9ARECQLCHRNB2
SCHEMBL4919043 0.88 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9ARECQLCHRNB2
SCHEMBL4920810 0.86 SMN1; SMN2 (0.65) SMN1; SMN2NPC1RAB9ARECQLCHRNB2
SCHEMBL9828038 0.85 HTT (0.71) SMN1; SMN2NPC1RAB9ARECQLCHRNB2
SCHEMBL23120359 0.84 CHRNB2 (0.62) SMN1; SMN2NPC1RAB9ARECQLCHRNB2
SCHEMBL646561 0.83 HTT (0.72) SMN1; SMN2LMNAHTTL3MBTL1TGM2

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 SMN1; SMN2 3818/4885NPC1 4153/4885RAB9A 2647/4885

“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.