SCHEMBL5987728

SCHEMBL5987728

Cc1cc(CO)cc(C)c1CN

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.39
SHBG P04278 1/20 0.38
LMNA P02545 2/20 0.37
HTR1D P28221 2/20 0.34
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
SLC11A2 P49281 1/20 0.31
HTR1B P28222 1/20 0.31
MAPT P10636 1/20 0.31
ENPP2 Q13822 1/20 0.30
KDM4E B2RXH2 1/20 0.30
CASP6 P55212 1/20 0.30
PGK1 P00558 1/20 0.30
PGK2 P07205 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
SCHEMBL13199148 0.82 ACHE (0.43) ACHESHBGESR1ESR2SLC11A2
SCHEMBL15874052 0.82 HTR1D (0.38) HTR1DESR1ESR2ENPP2
SCHEMBL18769304 0.78 TAAR1 (0.36) HTR1D
SCHEMBL2454691 0.75 CYP3A4 (0.46) ACHELMNAHTR1DENPP2
SCHEMBL5610638 0.75 ALDH1A1 (0.50) ACHESHBGESR1ESR2MAPT
SCHEMBL1858828 0.74 ACHE (0.37) ACHESHBGHTR1DESR1ESR2
SCHEMBL95656 0.74 ACHE (0.46) ACHESHBGESR1ESR2MAPT
SCHEMBL111999 0.74 HRH3 (0.40) LMNAHTR1DHTR1BMAPTKDM4E
SCHEMBL31255133 0.73 ACHE (0.36) ACHESHBGESR1ESR2
Hydrochloric Acid SCHEMBL7894748 0.72 LMNA (0.42) LMNAHTR1DHTR1BMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060167014-A1 Piperazine compounds and medicinal use thereof MITSUBISHI PHARMA CORPORATION 2006-07-27 US disclosed
EP-1029851-B1 PIPERAZINE COMPOUNDS AND MEDICINAL USE THEREOF MITSUBISHI PHARMA CORP (JP) 2005-04-20 EP disclosed
US-20030055064-A1 Piperazine compounds and medicinal use thereof MITSUBISHI PHARMA CORPORATION 2003-03-20 US disclosed
US-20030018034-A1 Piperazine compounds and medicinal use thereof MITSUBISHI PHARMA CORPORATION 2003-01-23 US disclosed
US-6455528-B1 TUMOR NECROSIS FACTOR ANTAGONIST AND/OR INTERLEUKIN PROMOTER; ANTIALLERGENS, ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASE TREATMENT MITSUBISHI PHARMA CORPORATION (JP) 2002-09-24 US disclosed
EP-1029851-A1 PIPERAZINE COMPOUNDS AND MEDICINAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2000-08-23 EP 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 (3 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-20030055064-A1 Piperazine compounds and medicinal use thereof TNF, IL5, CCR10 ACHE 2062/4885SHBG 3826/4885LMNA 4445/4885
US-20030018034-A1 Piperazine compounds and medicinal use thereof TNF, IL5, CCR10 ACHE 2007/4885SHBG 3803/4885LMNA 4420/4885
US-20060167014-A1 Piperazine compounds and medicinal use thereof TNF, CCR10, RELA ACHE 1520/4885SHBG 3926/4885LMNA 4306/4885

“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.