SCHEMBL4765415

SCHEMBL4765415

CCCOc1ccc(N2CCNC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 2/20 0.50
SIGMAR1 Q99720 2/20 0.50
HTR3E A5X5Y0 1/20 0.50
HTR3B O95264 1/20 0.50
HTR3A P46098 1/20 0.50
HTR3D Q70Z44 1/20 0.50
HTR3C Q8WXA8 1/20 0.50
LTA4H P09960 5/20 0.44
ALDH1A1 P00352 3/20 0.43
USP2 O75604 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
HRH2 P25021 1/20 0.42
HRH1 P35367 1/20 0.42
CACNA2D1 P54289 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KCNH2 Q12809 2/20 0.41

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
SCHEMBL4723068 0.94 SIGMAR1 (0.50) ADRB1SIGMAR1HTR3EHTR3BHTR3A
SCHEMBL8811069 0.90 ADRB1 (0.62) ADRB1SIGMAR1HTR3EHTR3BHTR3A
SCHEMBL4721119 0.87 ADRB1 (0.53) ADRB1SIGMAR1HTR3EHTR3BHTR3A
SCHEMBL8551038 0.84 ADRB1 (0.62) ADRB1SIGMAR1HTR3EHTR3BHTR3A
SCHEMBL11498486 0.81 ADRB1 (0.58) ADRB1SIGMAR1HTR3EHTR3BHTR3A
SCHEMBL30020652 0.80 ADRB1 (0.57) ADRB1SIGMAR1HTR3EHTR3BHTR3A
SCHEMBL7331350 0.80 ADRB1 (0.57) ADRB1SIGMAR1HTR3EHTR3BHTR3A
Hydrochloric Acid SCHEMBL6539950 0.79 ADRB1 (0.55) ADRB1SIGMAR1HTR3EHTR3BHTR3A
SCHEMBL4721424 0.78 HRH3 (0.63) LTA4HALDH1A1USP2MAPTSMN1; SMN2
SCHEMBL4724036 0.78 ADRB1 (0.79) ADRB1SIGMAR1HTR3EHTR3BHTR3A

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 274/4885SIGMAR1 1026/4885HTR3E 124/4885

“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.