SCHEMBL5857769

SCHEMBL5857769

COC(=O)C=CCN1CCN(Cc2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.50
ALDH1A1 P00352 3/20 0.49
HDAC4 P56524 1/20 0.49
KCNH2 Q12809 1/20 0.49
HDAC1 Q13547 1/20 0.49
KMT2A Q03164 3/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
MEN1 O00255 1/20 0.48
FAAH O00519 1/20 0.48
MC4R P32245 1/20 0.47
KDM4E B2RXH2 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL5857768 1.00 SIGMAR1 (0.50) SIGMAR1ALDH1A1HDAC4KCNH2HDAC1
SCHEMBL1138092 0.79 HTR7 (0.54) ALDH1A1KDM4E
SCHEMBL28631404 0.78 HDAC8 (0.70) SIGMAR1HDAC1
SCHEMBL1965067 0.78 LMNA (0.59) ALDH1A1KMT2ACYP3A4CYP2D6CYP2C9
SCHEMBL1138094 0.77 GPX4 (0.61) SIGMAR1ALDH1A1KCNH2CYP3A4CYP2D6
SCHEMBL1138089 0.77 GPX4 (0.61) SIGMAR1ALDH1A1KCNH2CYP3A4CYP2D6
SCHEMBL5036890 0.76 KMT2A (0.48) SIGMAR1ALDH1A1HDAC4KCNH2HDAC1
SCHEMBL30153938 0.76 HCAR2 (0.41) SIGMAR1KMT2AMEN1SMN1; SMN2
SCHEMBL16140874 0.75 HCAR2 (0.44) ALDH1A1KMT2ACYP2C19MEN1
SCHEMBL27597999 0.75 SIGMAR1 (0.69) SIGMAR1KMT2AMEN1MC4RKDM4E

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-7119098-B2 Heteroarylakanoic acids as intergrin receptor antagonists PHARMACIA CORPORATION (US) 2006-10-10 US disclosed
US-6933304-B2 Heteroarylalkanoic acids as integrin receptor antagonists PHARMACIA CORPORATION (US) 2005-08-23 US disclosed
US-20040092497-A1 Heteroarylakanoic acids as intergrin receptor antagonists PHARMACIA CORPORATION 2004-05-13 US disclosed
EP-1289983-A2 HETEROARYLALKANOIC ACIDS AS INTEGRIN RECEPTOR ANTAGONISTS Pharmacia Corporation (US) 2003-03-12 EP disclosed
US-20020133023-A1 Heteroarylalkanoic acids as integrin receptor antagonists PHARMACIA CORPORATION 2002-09-19 US disclosed
WO-2001096334-A2 HETEROARYLALKANOIC ACIDS AS INTEGRIN RECEPTOR ANTAGONISTS PHARMACIA CORPORATION (US) 2001-12-20 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-20020133023-A1 Heteroarylalkanoic acids as integrin receptor antagonists ITGA5, ITGA2B, ITGAV SIGMAR1 443/4885ALDH1A1 669/4885HDAC4 1550/4885
US-20040092497-A1 Heteroarylakanoic acids as intergrin receptor antagonists ITGA5, ITGB7, ITGA2B SIGMAR1 605/4885ALDH1A1 834/4885HDAC4 1891/4885

“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.