SCHEMBL5856730

SCHEMBL5856730

COC(=O)CCCN1CCNCC1.NC1CC1=O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39
TSHR P16473 1/20 0.37
KAT2B Q92831 1/20 0.36
ALDH1A1 P00352 3/20 0.36
HTR4 Q13639 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MAPT P10636 1/20 0.36
BRD4 O60885 1/20 0.35
GLA P06280 1/20 0.35

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
SCHEMBL7310808 0.87 MEN1 (0.49) SMN1; SMN2MEN1KMT2AHRH2HRH1
Hydrochloric Acid SCHEMBL28437307 0.85 MEN1 (0.48) SMN1; SMN2MEN1KMT2AHRH2HRH1
SCHEMBL31465622 0.82 MEN1 (0.48) SMN1; SMN2MEN1KMT2AHRH2HRH1
SCHEMBL9293161 0.81 PAOX (0.49) SMN1; SMN2MEN1KMT2AHRH2HRH1
Hydrochloric Acid SCHEMBL18263836 0.80 PAOX (0.47) SMN1; SMN2MEN1KMT2AHRH2HRH1
Hydrochloric Acid SCHEMBL9462599 0.80 PAOX (0.47) SMN1; SMN2MEN1KMT2AHRH2HRH1
SCHEMBL6603043 0.77 SMN1; SMN2 (0.56) SMN1; SMN2MEN1KMT2AHRH2HRH1
Hydrochloric Acid SCHEMBL8480707 0.76 SMN1; SMN2 (0.54) SMN1; SMN2MEN1KMT2AHRH2HRH1
Hydrochloric Acid SCHEMBL4114140 0.76 SMN1; SMN2 (0.54) SMN1; SMN2MEN1KMT2AHRH2HRH1
SCHEMBL11570934 0.75 TSHR (0.58) SMN1; SMN2TSHRKAT2BALDH1A1MAPT

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 SMN1; SMN2 3712/4885MEN1 4396/4885KMT2A 3366/4885
US-20040092497-A1 Heteroarylakanoic acids as intergrin receptor antagonists ITGA5, ITGB7, ITGA2B SMN1; SMN2 4329/4885MEN1 3450/4885KMT2A 3771/4885

“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.