SCHEMBL4895100

SCHEMBL4895100

[CH2]CCCC(Cl)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
HRH1 P35367 6/20 0.39
HTR2A P28223 6/20 0.39
TAAR1 Q96RJ0 1/20 0.34
SIGMAR1 Q99720 1/20 0.33
CYP19A1 P11511 1/20 0.33
MTOR P42345 1/20 0.32
RAB9A P51151 1/20 0.32
GRM7 Q14831 1/20 0.32
DPP4 P27487 2/20 0.32
F2 P00734 1/20 0.32
KCNH2 Q12809 1/20 0.32
GRIN1 Q05586 2/20 0.31
GRIN2A Q12879 2/20 0.31

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
SCHEMBL7295713 0.94 TSHR (0.41) TSHRHRH1HTR2ATAAR1SIGMAR1
SCHEMBL4897348 0.86 TSHR (0.46) TSHRHRH1HTR2ATAAR1MTOR
SCHEMBL22042223 0.86 TSHR (0.50) TSHRHRH1HTR2ATAAR1SIGMAR1
SCHEMBL22042229 0.81 TSHR (0.55) TSHRHRH1HTR2ATAAR1MTOR
SCHEMBL2408107 0.80 TSHR (0.44) TSHRHRH1HTR2ATAAR1SIGMAR1
SCHEMBL2096612 0.79 HRH1 (0.60) HRH1HTR2ATAAR1SIGMAR1CYP19A1
SCHEMBL5610361 0.78 HRH1 (0.44) TSHRHRH1HTR2ATAAR1SIGMAR1
SCHEMBL13639028 0.78 HTR2A (0.43) TSHRHRH1HTR2ATAAR1SIGMAR1
SCHEMBL6596358 0.78 TSHR (0.42) TSHRHRH1HTR2ATAAR1SIGMAR1
SCHEMBL9198696 0.78 HRH1 (0.65) TSHRHRH1HTR2ATAAR1

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 8 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-5306719-A Cardiotonic agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-04-26 US disclosed
EP-0255134-B1 CARBOSTYRIL DERIVATIVES AND SALTS THEREOF, PROCESS FOR PREPARING THEM, AND CARDIOTONIC COMPOSITION CONTAINING SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-03-03 EP disclosed
US-5071856-A CARBOSTYRIL DERIVATIVES AND SALTS THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-12-10 US disclosed
US-4886809-A CARDIOTONIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-12-12 US disclosed
EP-0255134-A2 Carbostyril derivatives and salts thereof, process for preparing them, and cardiotonic composition containing same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-02-03 EP 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 TSHR 1355/4885HRH1 582/4885HTR2A 712/4885

“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.