SCHEMBL4896508

SCHEMBL4896508

[CH2]CCC(I)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 6/20 0.39
HTR2A P28223 6/20 0.37
TAAR1 Q96RJ0 1/20 0.37
DPP4 P27487 2/20 0.35
F2 P00734 1/20 0.35
TSHR P16473 1/20 0.35
MTOR P42345 1/20 0.34
RAB9A P51151 1/20 0.34
GRM7 Q14831 1/20 0.34
HIF1A Q16665 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL4897369 0.86 HRH1 (0.39) HRH1HTR2ATAAR1DPP4F2
SCHEMBL31190174 0.85 HRH1 (0.46) HRH1HTR2ATAAR1DPP4F2
SCHEMBL15144138 0.80 HRH1 (0.44) HRH1HTR2ATAAR1DPP4F2
SCHEMBL4894981 0.80 TAAR1 (0.40) HRH1HTR2ATAAR1DPP4F2
SCHEMBL17008844 0.78 HRH1 (0.41) HRH1HTR2ATAAR1DPP4F2
SCHEMBL270397 0.77 HRH1 (0.56) HRH1HTR2ATAAR1LMNA
SCHEMBL3477567 0.76 AOC3 (0.46) HRH1HTR2ATAAR1LMNA
SCHEMBL2208541 0.76 TRPA1 (0.48) HRH1HTR2ATAAR1TSHRLMNA
SCHEMBL14310490 0.76 HRH1 (0.39) HRH1HTR2ATAAR1DPP4F2
SCHEMBL28690382 0.76 HRH1 (0.62) HRH1HTR2ATAAR1DPP4F2

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 4 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
US-5071856-A CARBOSTYRIL DERIVATIVES AND SALTS THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-12-10 US 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 HRH1 582/4885HTR2A 712/4885TAAR1 3122/4885

“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.