SCHEMBL4764176

SCHEMBL4764176

CCCCOc1ccc(N2CCCC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.68
KCNH2 Q12809 2/20 0.68
TSHR P16473 3/20 0.58
LTA4H P09960 1/20 0.58
ALDH1A1 P00352 5/20 0.55
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
HPGD P15428 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
MAPT P10636 6/20 0.55
NPC1 O15118 1/20 0.55
TP53 P04637 1/20 0.55
NFKB1 P19838 1/20 0.55
RAB9A P51151 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
MAPK1 P28482 4/20 0.54
CYP1A2 P05177 1/20 0.54
CHRM2 P08172 1/20 0.54
CHRM1 P11229 1/20 0.54

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
SCHEMBL4723204 0.98 HRH3 (0.71) HRH3KCNH2TSHRLTA4HALDH1A1
SCHEMBL7297509 0.95 HRH3 (0.67) HRH3KCNH2TSHRLTA4HALDH1A1
SCHEMBL16295842 0.93 HRH3 (0.65) HRH3KCNH2TSHRLTA4HALDH1A1
Hydrochloric Acid SCHEMBL10516823 0.93 HRH3 (0.65) HRH3KCNH2TSHRLTA4HALDH1A1
SCHEMBL4721424 0.93 HRH3 (0.63) HRH3KCNH2TSHRLTA4HALDH1A1
SCHEMBL4720769 0.91 HRH3 (0.66) HRH3KCNH2TSHRLTA4HALDH1A1
SCHEMBL10773047 0.91 HRH3 (0.57) HRH3KCNH2TSHRLTA4HALDH1A1
SCHEMBL16304018 0.89 HRH3 (0.60) HRH3KCNH2TSHRLTA4HALDH1A1
SCHEMBL9671431 0.88 PSMB1 (0.57) HRH3KCNH2TSHRLTA4HALDH1A1
SCHEMBL18405953 0.87 LTA4H (0.57) HRH3KCNH2TSHRLTA4HALDH1A1

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.