SCHEMBL5166923

SCHEMBL5166923

CCCN(CC)c1ccccc1[C]=O

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.35
TP53 P04637 1/20 0.34
DRD3 P35462 1/20 0.34
HTR2A P28223 1/20 0.33
ESR1 P03372 4/20 0.32
ALDH3A1 P30838 2/20 0.32
ALDH1A3 P47895 2/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
NPSR1 Q6W5P4 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
IGLV6-57 P01721 1/20 0.31
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
NOX1 Q9Y5S8 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
SCHEMBL5167326 0.93 HTR1A (0.37) HTR1ATP53DRD3ESR1ALDH3A1
SCHEMBL5166248 0.89 AR (0.36) ALDH3A1ALDH1A3ALDH1A1TSHRL3MBTL1
SCHEMBL21437153 0.82 TDP1 (0.39) TP53ALDH1A1TSHRNPSR1MEN1
SCHEMBL5166937 0.80 HTR1A (0.36) HTR1ATP53DRD3HTR2AESR1
SCHEMBL23349106 0.78 TSHR (0.39) HTR1ATP53DRD3ALDH3A1ALDH1A3
SCHEMBL5167168 0.76 ALDH1A1 (0.31) TP53HTR2AALDH1A1TSHRL3MBTL1
SCHEMBL6880657 0.76 HTR1A (0.46) HTR1ATP53ESR1ALDH1A1TSHR
SCHEMBL28015754 0.75 TP53 (0.39) HTR1ATP53ALDH1A1TSHRNPSR1
SCHEMBL20149791 0.74 CRHR1 (0.34) HTR1ATP53DRD3ESR1ALDH3A1
SCHEMBL20133582 0.74 TSHR (0.42) ALDH3A1ALDH1A3ALDH1A1TSHRNPC1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070225291-A1 Substituted Pyrazinone Compounds for the Treatment of Inflammation PFIZER INC. 2007-09-27 US claimed
EP-1678164-B1 SUBSTITUTED PYRAZINONE COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORP (US) 2007-04-11 EP claimed
EP-1678146-A1 PYRIMIDINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATION Pharmacia Corporation (US) 2006-07-12 EP claimed
US-20050197338-A1 Substituted pyrazole urea compounds for the treatment of inflammation PHARMACIA AND UPJOHN COMPANY LLC 2005-09-08 US claimed
WO-2005040133-A1 PYRIMIDINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2005-05-06 WO claimed
WO-2005037797-A1 SUBSTITUTED PYRAZOLE UREA COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2005-04-28 WO claimed
US-20070225291-A1 Substituted Pyrazinone Compounds for the Treatment of Inflammation PFIZER INC. 2007-09-27 US disclosed
EP-1678164-B1 SUBSTITUTED PYRAZINONE COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORP (US) 2007-04-11 EP disclosed
US-20050197338-A1 Substituted pyrazole urea compounds for the treatment of inflammation PHARMACIA AND UPJOHN COMPANY LLC 2005-09-08 US disclosed
WO-2005037797-A1 SUBSTITUTED PYRAZOLE UREA COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2005-04-28 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 (2 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-20050197338-A1 Substituted pyrazole urea compounds for the treatment of inflammation IL4, ARG2, CASP4 HTR1A 1180/4885TP53 711/4885DRD3 4015/4885
US-20070225291-A1 Substituted Pyrazinone Compounds for the Treatment of Inflammation CNKSR1, IL1RN, CHUK HTR1A 2889/4885TP53 1071/4885DRD3 4512/4885

“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.