SCHEMBL4723530

SCHEMBL4723530

CCCN(CC)c1cccc2c1[CH]c1ccccc1-2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 6/20 0.35
DRD3 P35462 2/20 0.34
RAB9A P51151 2/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP1A2 P05177 2/20 0.30
CYP2D6 P10635 2/20 0.30
TP53 P04637 1/20 0.30
RET P07949 1/20 0.30
CHRM2 P08172 1/20 0.30
HTR1A P08908 1/20 0.30
CHRM1 P11229 1/20 0.30
DRD2 P14416 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
ADRA2C P18825 1/20 0.30
CHRM3 P20309 1/20 0.30
SLC6A2 P23975 1/20 0.30
HTR2A P28223 1/20 0.30

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
SCHEMBL4765912 0.94 CRHR1 (0.40) CRHR1DRD3MEN1KMT2ACYP1A2
SCHEMBL4721732 0.91 CRHR1 (0.39) CRHR1RAB9AMEN1GAAKMT2A
SCHEMBL4722979 0.90 MEN1 (0.36) DRD3RAB9AMEN1GAAKMT2A
SCHEMBL4724521 0.88 CRHR1 (0.40) CRHR1DRD3MEN1KMT2AKDM4E
SCHEMBL4724339 0.84 CRHR1 (0.36) CRHR1DRD3MEN1KMT2ATP53
SCHEMBL4721790 0.83 DRD3 (0.35) CRHR1DRD3MEN1KMT2ACYP1A2
SCHEMBL4719924 0.79 TP53 (0.33) DRD3MEN1KMT2ACYP1A2CYP2D6
SCHEMBL4723422 0.77 KDM4E (0.40) DRD3MEN1KMT2ACYP1A2CYP2D6
SCHEMBL215956 0.74 MAPT (0.43) DRD3RAB9AMEN1GAAKMT2A
SCHEMBL23349106 0.73 TSHR (0.39) CRHR1DRD3CYP2D6TP53HTR1A

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 CRHR1 3095/4885DRD3 509/4885RAB9A 2943/4885

“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.