SCHEMBL4886794

SCHEMBL4886794

Br[CH]CCCCCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 11/20 0.54
MAOA P21397 1/20 0.52
MAOB P27338 2/20 0.50
MAPT P10636 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
ALOX12 P18054 1/20 0.48
CASP1 P29466 1/20 0.48
HSD17B10 Q99714 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL4889342 0.98 MAOA (0.54) SIGMAR1MAOAMAOBMAPTRXFP1
SCHEMBL867076 0.91 ALDH1A1 (0.52) SIGMAR1MAOAMAOBALDH1A1HPGD
SCHEMBL4896631 0.84 MAPT (0.53) SIGMAR1MAOAMAOBMAPTRXFP1
SCHEMBL9825321 0.84 SIGMAR1 (0.56) SIGMAR1MAOAMAOBMAPTRXFP1
SCHEMBL4892662 0.83 ALDH1A1 (0.55) SIGMAR1MAOAMAOBALDH1A1HPGD
SCHEMBL6546948 0.83 SIGMAR1 (0.71) SIGMAR1MAOAMAOBMAPTRXFP1
SCHEMBL8094527 0.83 SIGMAR1 (0.71) SIGMAR1MAOAMAOBMAPTRXFP1
SCHEMBL676854 0.83 SIGMAR1 (0.71) SIGMAR1MAOAMAOBMAPTRXFP1
SCHEMBL8095284 0.83 SIGMAR1 (0.71) SIGMAR1MAOAMAOBMAPTRXFP1
SCHEMBL1433686 0.83 SIGMAR1 (0.71) SIGMAR1MAOAMAOBMAPTRXFP1

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-20080194590-A1 4-Piperazinylthieno [2,3-D] Pyrimidine Compounds as Platelet Aggregation Inhibitors PFIZER INC 2008-08-14 US disclosed
EP-1869051-A1 4-PIPERAZINYLTHIENO Ý2,3-D¨PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS Pharmacia & Upjohn Company LLC (US) 2007-12-26 EP disclosed
WO-2006103545-A1 4-PIPERAZINYLTHIENO [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-20080194590-A1 4-Piperazinylthieno [2,3-D] Pyrimidine Compounds as Platelet Aggregation Inhibitors PFKP, PF4, P2RY4 SIGMAR1 1885/4885MAOA 1106/4885MAOB 1020/4885

“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.