SCHEMBL4895095

SCHEMBL4895095

Cl[CH]CCCCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.52
MAOB P27338 2/20 0.50
SIGMAR1 Q99720 9/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
MAPT P10636 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
HTR2A P28223 1/20 0.45
CCR3 P51677 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44

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
SCHEMBL4897095 0.98 SIGMAR1 (0.52) MAOAMAOBSIGMAR1L3MBTL1MAPT
SCHEMBL4897344 0.93 SIGMAR1 (0.48) MAOAMAOBSIGMAR1L3MBTL1HTR2A
SCHEMBL1157215 0.83 ALDH1A1 (0.48) MAOAMAOBSIGMAR1HTR2A
SCHEMBL11662668 0.81 TRPV1 (0.49) MAOAMAOBSIGMAR1MAPTRXFP1
SCHEMBL11373806 0.81 TRPV1 (0.49) MAOAMAOBSIGMAR1MAPTRXFP1
SCHEMBL451456 0.80 MAOA (0.74) MAOAMAOBSIGMAR1L3MBTL1MAPT
SCHEMBL4889342 0.79 MAOA (0.54) MAOAMAOBSIGMAR1L3MBTL1MAPT
SCHEMBL9825321 0.79 SIGMAR1 (0.56) MAOAMAOBSIGMAR1L3MBTL1MAPT
SCHEMBL96648 0.77 SIGMAR1 (0.54) MAOAMAOBSIGMAR1L3MBTL1MAPT
SCHEMBL1478014 0.77 SIGMAR1 (0.52) MAOAMAOBSIGMAR1L3MBTL1

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.