SCHEMBL4720769

SCHEMBL4720769

CCCOc1ccc(N2CCCCC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.66
KCNH2 Q12809 1/20 0.66
TSHR P16473 3/20 0.53
MAPT P10636 8/20 0.52
ALDH1A1 P00352 6/20 0.52
KMT2A Q03164 4/20 0.52
TP53 P04637 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
MEN1 O00255 2/20 0.52
ALOX15 P16050 2/20 0.52
HPGD P15428 2/20 0.52
MAPK1 P28482 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
KDM4E B2RXH2 1/20 0.52
APP P05067 1/20 0.52
GAA P10253 1/20 0.52
ALOX12 P18054 1/20 0.52
SNCA P37840 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
CYP2D6 P10635 1/20 0.52

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
SCHEMBL4721424 0.98 HRH3 (0.63) HRH3KCNH2TSHRMAPTALDH1A1
SCHEMBL4723204 0.93 HRH3 (0.71) HRH3KCNH2TSHRMAPTALDH1A1
SCHEMBL4764176 0.91 HRH3 (0.68) HRH3KCNH2TSHRMAPTALDH1A1
SCHEMBL7297509 0.90 HRH3 (0.67) HRH3KCNH2TSHRMAPTALDH1A1
Hydrochloric Acid SCHEMBL10516823 0.88 HRH3 (0.65) HRH3KCNH2TSHRMAPTALDH1A1
SCHEMBL16295842 0.88 HRH3 (0.65) HRH3KCNH2TSHRMAPTALDH1A1
SCHEMBL4720351 0.85 MAPT (0.68) HRH3KCNH2MAPTALDH1A1KMT2A
SCHEMBL16304018 0.84 HRH3 (0.60) HRH3KCNH2TSHRMAPTALDH1A1
SCHEMBL4724739 0.84 ALDH1A1 (0.59) HRH3KCNH2MAPTALDH1A1SMN1; SMN2
SCHEMBL22022308 0.84 HRH3 (0.61) HRH3KCNH2TSHRMAPTALDH1A1

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-20080176857-A1 4-Piperazinnylthieno[2,3-d]Pyrimidine Compounds as Platelet Aggregation Inhibitors PFIZER INC. 2008-07-24 US disclosed
EP-1874780-A1 4-PIPERAZINYLTHIENO[2,3-D]PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS Pharmacia & Upjohn Company LLC (US) 2008-01-09 EP disclosed
WO-2006100591-A1 4-PIPERAZINNYLTHIENO [2,3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-09-28 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-20080176857-A1 4-Piperazinnylthieno[2,3-d]Pyrimidine Compounds as Platelet Aggregation Inhibitors TBXA2R, P2RY4, PF4 HRH3 80/4885KCNH2 402/4885TSHR 499/4885

“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.