SCHEMBL3783641

SCHEMBL3783641

CC(C)(C)OC(=O)CN1CCNCCN(CC(=O)O)CCN(CC(=O)OC(C)(C)C)CC1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.44
CHRM3 P20309 3/20 0.41
CHRM5 P08912 2/20 0.41
HSD17B10 Q99714 1/20 0.36
PLA2G10 O15496 1/20 0.36
PLA2G5 P39877 1/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM1 P11229 1/20 0.33
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL17328038 1.00 SIGMAR1 (0.44) SIGMAR1CHRM3CHRM5HSD17B10PLA2G10
SCHEMBL4213475 1.00 SIGMAR1 (0.44) SIGMAR1CHRM3CHRM5HSD17B10PLA2G10
Bromide SCHEMBL22800758 0.98 SIGMAR1 (0.43) SIGMAR1CHRM3CHRM5HSD17B10PLA2G10
SCHEMBL7044717 0.98 SIGMAR1 (0.43) SIGMAR1CHRM3CHRM5HSD17B10PLA2G10
SCHEMBL583320 0.94 SIGMAR1 (0.49) SIGMAR1CHRM3CHRM5PLA2G10PLA2G5
SCHEMBL1149470 0.94 SIGMAR1 (0.49) SIGMAR1CHRM3CHRM5PLA2G10PLA2G5
Bromide SCHEMBL583318 0.92 SIGMAR1 (0.47) SIGMAR1CHRM3CHRM5PLA2G10PLA2G5
Hydrochloric Acid SCHEMBL8209880 0.92 SIGMAR1 (0.47) SIGMAR1CHRM3CHRM5PLA2G10PLA2G5
SCHEMBL4771744 0.92 SIGMAR1 (0.47) SIGMAR1CHRM3CHRM5PLA2G10PLA2G5
SCHEMBL649131 0.92 SIGMAR1 (0.50) SIGMAR1CHRM3CHRM5PLA2G10PLA2G5

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010084090-A1 PYRIDYL-AZA(THIO)XANTHONE SENSITIZER COMPRISING LANTHANIDE(III) ION COMPLEXING COMPOUNDS, THEIR LUMINESCENT LANTHANIDE (III) ION COMPLEXES AND USE THEREOF AS FLUORESCENT LABELS. CIS BIO INTERNATIONAL (FR) 2010-07-29 WO disclosed
EP-1307226-B1 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS LANTHEUS MEDICAL IMAGING INC (US) 2008-11-19 EP disclosed
US-7332149-B1 Vitronectin receptor antagonist pharmaceuticals BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-02-19 US disclosed
US-7321045-B2 Vitronectin receptor antagonist pharmaceuticals BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-01-22 US disclosed
EP-1140203-B1 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS BRISTOL MYERS SQUIBB PHARMA CO (US) 2007-05-23 EP disclosed
US-7179446-B2 Simultaneous imaging of cardiac perfusion and a vitronectin receptor targeted imaging agent BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-02-20 US disclosed
US-7138104-B2 Simultaneous imaging of cardiac perfusion and a vitronectin receptor targeted imaging agent BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-21 US disclosed
US-7052673-B2 Pharmaceuticals for the imaging of angiogenic disorders BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2006-05-30 US disclosed
US-7018611-B2 Vitronectin receptor antagonist pharmaceuticals BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2006-03-28 US disclosed
US-20060003926-A1 PHARMACEUTICALS FOR THE IMAGING OF ANGIOGENIC DISORDERS LANTHEUS MEDICAL IMAGING, INC. 2006-01-05 US disclosed
US-6524553-B2 A compound, comprising: a targeting moiety and a chelator, wherein the targeting moiety is bound to the chelator, is a qinolone nonpeptide, and binds to a receptor that is upregulated during angiogenesis BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-02-25 US disclosed
US-6511649-B1 Chemotherapeutic, a radiosensitizer agent, and a targeting moiety bound to chelator and is a quinolone nonpeptide that binds to a receptor; therapeutically effective radioisotope or diagnostically effective imageable moiety; cancer LANTHEUS MI REAL ESTATE, LLC 2003-01-28 US disclosed
US-6511648-B2 Diagnosis, therapy cancer BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-01-28 US disclosed
US-20020182147-A1 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS LANTHEUS MI REAL ESTATE, LLC 2002-12-05 US disclosed
US-20020106325-A1 Simultaneous imaging of cardiac perfusion and a vitronectin receptor targeted imaging agent CARPENTER ALAN P (US) 2002-08-08 US disclosed
US-20020061909-A1 Vitronectin receptor antagonist pharmaceuticals LANTHEUS MI REAL ESTATE, LLC 2002-05-23 US disclosed
US-20020041878-A1 Vitronectin receptor antagonist pharmaceuticals LANTHEUS MEDICAL IMAGING, INC. 2002-04-11 US disclosed
US-20020015680-A1 QUINOLONE VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS CITIZENS BANK, N.A. 2002-02-07 US disclosed
US-20020001566-A1 PHARMACEUTICALS FOR THE IMAGING OF ANGIOGENIC DISORDERS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-01-03 US disclosed
US-6322770-B1 FOR DIAGNOSIS AND TREATMENT OF CANCER, IMAGING TUMORS, MONITORING THERAPEUTIC ANGIOGENESIS TREATMENT AND DESTRUCTION OF NEW ANGIOGENIC VASCULATURE; COMPRISED OF TARGETING MOIETY THAT BINDS TO RECEPTOR AND RADIOISOTOPE DUPONT PHARMACEUTICALS COMPANY 2001-11-27 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 (7 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-20020015680-A1 QUINOLONE VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS ADGRF1, QRFPR, ADGRE5 SIGMAR1 398/4885CHRM3 942/4885CHRM5 604/4885
US-20020106325-A1 Simultaneous imaging of cardiac perfusion and a vitronectin receptor targeted imaging agent TNNI3, ASGR1, TNNT2 SIGMAR1 2007/4885CHRM3 937/4885CHRM5 687/4885
US-20020041878-A1 Vitronectin receptor antagonist pharmaceuticals ADGRF1, RXFP1, VCAM1 SIGMAR1 648/4885CHRM3 999/4885CHRM5 638/4885
US-20020001566-A1 PHARMACEUTICALS FOR THE IMAGING OF ANGIOGENIC DISORDERS VEGFA, FLT4, FLT1 SIGMAR1 832/4885CHRM3 2910/4885CHRM5 2720/4885
US-20060003926-A1 PHARMACEUTICALS FOR THE IMAGING OF ANGIOGENIC DISORDERS FLT4, VEGFA, FLT1 SIGMAR1 667/4885CHRM3 3195/4885CHRM5 3902/4885
US-20020061909-A1 Vitronectin receptor antagonist pharmaceuticals ADGRF1, RXFP1, VCAM1 SIGMAR1 583/4885CHRM3 915/4885CHRM5 519/4885
US-20020182147-A1 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS ADGRF1, RXFP1, VCAM1 SIGMAR1 583/4885CHRM3 915/4885CHRM5 519/4885

“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.