SCHEMBL4919040

SCHEMBL4919040

[CH2]CCN(C(=O)OCCCC)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.46
TDP1 Q9NUW8 3/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
JAK2 O60674 1/20 0.46
PAX8 Q06710 1/20 0.46
TP53 P04637 2/20 0.45
CHRM2 P08172 5/20 0.44
CHRM1 P11229 5/20 0.44
CHRM3 P20309 5/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 5/20 0.43
MAPK1 P28482 3/20 0.43
CYP3A4 P08684 3/20 0.43
GLA P06280 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
MCL1 Q07820 1/20 0.42

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
SCHEMBL4920502 0.93 NPC1 (0.48) TSHRTDP1L3MBTL1NPC1RAB9A
SCHEMBL4910205 0.91 TP53 (0.47) TSHRNPC1RAB9AJAK2PAX8
SCHEMBL11430998 0.90 TSHR (0.50) TSHRTDP1L3MBTL1NPC1RAB9A
SCHEMBL4921591 0.88 TSHR (0.49) TSHRTDP1L3MBTL1NPC1RAB9A
SCHEMBL6893551 0.87 TSHR (0.47) TSHRTDP1L3MBTL1NPC1RAB9A
SCHEMBL4922482 0.86 NPC1 (0.46) TSHRNPC1RAB9AJAK2PAX8
SCHEMBL4919983 0.85 SMN1; SMN2 (0.55) TSHRL3MBTL1NPC1RAB9AJAK2
SCHEMBL11546490 0.84 TSHR (0.50) TSHRTDP1L3MBTL1NPC1RAB9A
SCHEMBL27983244 0.83 NPC1 (0.59) TSHRTDP1L3MBTL1NPC1RAB9A
SCHEMBL6003328 0.82 NPC1 (0.51) TSHRTDP1L3MBTL1NPC1RAB9A

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 TSHR 337/4885TDP1 1385/4885L3MBTL1 3994/4885

“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.