SCHEMBL4889342

SCHEMBL4889342

Br[CH]CCCCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.54
MAOB P27338 2/20 0.52
SIGMAR1 Q99720 9/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
ALOX12 P18054 1/20 0.50
CASP1 P29466 1/20 0.50
HSD17B10 Q99714 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
MAPT P10636 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
HTR2A P28223 1/20 0.46

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
SCHEMBL4886794 0.98 SIGMAR1 (0.54) MAOAMAOBSIGMAR1ALDH1A1HPGD
SCHEMBL867076 0.93 ALDH1A1 (0.52) MAOAMAOBSIGMAR1ALDH1A1HPGD
SCHEMBL4892662 0.85 ALDH1A1 (0.55) MAOAMAOBSIGMAR1ALDH1A1HPGD
SCHEMBL4897366 0.84 MAOA (0.52) MAOAMAOBSIGMAR1ALDH1A1HPGD
SCHEMBL4896631 0.82 MAPT (0.53) MAOAMAOBSIGMAR1ALDH1A1HPGD
SCHEMBL451456 0.82 MAOA (0.74) MAOAMAOBSIGMAR1ALDH1A1HPGD
SCHEMBL9825321 0.81 SIGMAR1 (0.56) MAOAMAOBSIGMAR1L3MBTL1MAPT
SCHEMBL11772102 0.80 TRPV1 (0.50) MAOAMAOBSIGMAR1ALDH1A1HPGD
SCHEMBL11772108 0.80 TRPV1 (0.50) MAOAMAOBSIGMAR1ALDH1A1HPGD
SCHEMBL4895095 0.79 MAOA (0.52) MAOAMAOBSIGMAR1L3MBTL1MAPT

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 MAOA 1106/4885MAOB 1020/4885SIGMAR1 1885/4885

“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.