SCHEMBL5111243

SCHEMBL5111243

CCCCN(CC)c1ncco1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 1/20 0.36
ELANE P08246 3/20 0.35
CRHR1 P34998 5/20 0.33
FAAH O00519 2/20 0.33
HTT P42858 2/20 0.33
CES1 P23141 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
NCOA1 Q15788 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33

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
SCHEMBL4721464 0.93 ELANE (0.39) UTS2RELANEFAAHHTTCES1
SCHEMBL4721466 0.89 ELANE (0.38) UTS2RELANEFAAHHTTCES1
SCHEMBL5101056 0.89 HCAR3 (0.33) CRHR1HTT
SCHEMBL4721756 0.85 GBA1 (0.35) ELANEHTTSMN1; SMN2
SCHEMBL4724016 0.81 HCAR3 (0.35) CRHR1FAAHHTTCES1MAPT
SCHEMBL4723841 0.80 HRH3 (0.36) UTS2RFAAHCES1KDM4EALDH1A1
SCHEMBL4724154 0.72 HCAR3 (0.37) KDM4EALDH1A1MAPT
SCHEMBL16316871 0.71 CRHR1 (0.44) UTS2RELANECRHR1HTTKDM4E
SCHEMBL11527629 0.70 MLYCD (0.45) ELANEFAAHCES1ALDH1A1
SCHEMBL30088772 0.67 ALDH1A1 (0.43) FAAHCES1ALDH1A1

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 1 patent. 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

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 UTS2R 632/4885ELANE 2494/4885CRHR1 3095/4885

“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.