SCHEMBL4721119

SCHEMBL4721119

CCOc1ccc(N2CCNC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 2/20 0.53
HTR3E A5X5Y0 1/20 0.53
HTR3B O95264 1/20 0.53
HTR3A P46098 1/20 0.53
HTR3D Q70Z44 1/20 0.53
HTR3C Q8WXA8 1/20 0.53
SIGMAR1 Q99720 1/20 0.53
MAPT P10636 4/20 0.53
ALDH1A1 P00352 4/20 0.53
NPC1 O15118 1/20 0.53
TP53 P04637 1/20 0.53
RAB9A P51151 1/20 0.53
BACE1 P56817 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CACNA2D1 P54289 2/20 0.48
CACNA2D2 Q9NY47 2/20 0.48
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
GAA P10253 2/20 0.47
ALOX15 P16050 2/20 0.47

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
SCHEMBL2155052 0.90 ADRB1 (0.66) ADRB1HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL27331131 0.88 ADRB1 (0.64) ADRB1HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL4324884 0.88 ADRB1 (0.64) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL4723068 0.87 SIGMAR1 (0.50) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL4765415 0.87 ADRB1 (0.50) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL5238114 0.84 ADRB1 (0.58) ADRB1HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL2155829 0.83 ADRB1 (0.57) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL4724036 0.81 ADRB1 (0.79) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL27363642 0.80 MAPT (0.65) MAPTALDH1A1NPC1TP53RAB9A
SCHEMBL20907482 0.79 MAPT (0.46) ADRB1HTR3EHTR3BHTR3AHTR3D

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 ADRB1 274/4885HTR3E 124/4885HTR3B 79/4885

“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.