SCHEMBL451738

SCHEMBL451738

[CH]1CCC(c2ccccc2)(c2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.56
MEN1 O00255 1/20 0.54
CYP2C9 P11712 1/20 0.54
KMT2A Q03164 1/20 0.54
GRIN2D O15399 1/20 0.52
GRIN3B O60391 1/20 0.52
CHRM2 P08172 1/20 0.52
CHRM1 P11229 1/20 0.52
GRIN1 Q05586 1/20 0.52
KCNH2 Q12809 1/20 0.52
GRIN2A Q12879 1/20 0.52
GRIN2B Q13224 1/20 0.52
GRIN2C Q14957 1/20 0.52
GRIN3A Q8TCU5 1/20 0.52
CYP2D6 P10635 1/20 0.47
HTR2A P28223 1/20 0.46
DRD4 P21917 1/20 0.43
OPRK1 P41145 1/20 0.41
OPRL1 P41146 1/20 0.41
AKT2 P31751 1/20 0.40

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
SCHEMBL28677080 0.91 OPRM1 (0.48) OPRM1MEN1CYP2C9KMT2AGRIN2D
SCHEMBL2256573 0.83 OPRM1 (0.67) OPRM1MEN1CYP2C9KMT2AGRIN2D
SCHEMBL2256575 0.83 OPRM1 (0.67) OPRM1MEN1CYP2C9KMT2AGRIN2D
Ammonia Solution, Strong SCHEMBL1158702 0.80 OPRM1 (0.64) OPRM1MEN1CYP2C9KMT2AGRIN2D
Bromide SCHEMBL28969840 0.80 OPRM1 (0.64) OPRM1MEN1CYP2C9KMT2AGRIN2D
Iodide SCHEMBL28805522 0.78 OPRM1 (0.61) OPRM1MEN1CYP2C9KMT2AGRIN2D
SCHEMBL8772674 0.78 OPRM1 (0.61) OPRM1MEN1CYP2C9KMT2AGRIN2D
Bromide SCHEMBL28680754 0.78 OPRM1 (0.61) OPRM1MEN1CYP2C9KMT2AGRIN2D
SCHEMBL827795 0.78 OPRM1 (0.61) OPRM1MEN1CYP2C9KMT2AGRIN2D
SCHEMBL24157288 0.76 ESR1 (0.58) OPRM1MEN1CYP2C9KMT2AGRIN2D

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
CN-1298390-C Smulaneous imaging of cardiac perfusion and vitronection receptor targeted imaging agent BRISTOL MYERS SQUIBB PHARMA CO (US) 2007-02-07 CN claimed
US-8802634-B2 CD40-L Inhibitory Peptides PHYLOGICA LIMITED (AU) 2014-08-12 US disclosed
US-20130266605-A1 PEPTIDE INHIBITORS OF CD40L SIGNALING AND USES THEREFOR PHYLOGICA LIMITED (AU) 2013-10-10 US disclosed
EP-2616480-A1 PEPTIDE INHIBITORS OF CD40L SIGNALING AND USES THEREFOR Phylogica Limited (AU) 2013-07-24 EP disclosed
US-8394356-B2 Diagnostic imaging contrast agents with extended blood retention LANTHEUS MEDICAL IMAGING, INC. (US) 2013-03-12 US disclosed
US-20130022590-A1 Compositions Comprising Zinc Finger Domains and Uses Therefor THE UNIVERSITY OF SYDNEY (AU) 2013-01-24 US disclosed
US-20120107249-A1 Diagnostic Imaging Contrast Agents with Extended Blood Retention LANTHEUS MEDICAL IMAGING, INC. (US) 2012-05-03 US disclosed
CN-101432923-B Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery MITSUBISHI CHEM CORP 2012-04-18 CN disclosed
WO-2012034188-A1 PEPTIDE INHIBITORS OF CD40L SIGNALING AND USES THEREFOR PHYLOGICA LIMITED (AU) 2012-03-22 WO disclosed
US-20120065134-A1 CD40-L INHIBITORY PHYLOMER PEPTIDES PHYLOGICA LIMITED (AU) 2012-03-15 US disclosed
US-7011815-B2 Diagnostic imaging contrast agents with extended blood retention EPIX PHARMACEUTICALS, INC. (US) 2006-03-14 US disclosed
US-20040208827-A1 MEDICAL DIAGNOSIS; examining vasculature of a tissue, obtains a NMR image; reducing renal and hepatocellular uptake, lost less from the bloodstream, use a lower doses, retained by the blood for a prolonged period of time EPIX MEDICAL, INC., A DELAWARE CORPORATION 2004-10-21 US disclosed
US-20040202613-A1 Chelate compounds EPIX MEDICAL, INC., A DELAWARE CORPORATION 2004-10-14 US disclosed
US-6676929-B2 MEDICAL DIAGNOSIS; GADOFOSVESET EPIX MEDICAL, INC. 2004-01-13 US disclosed
US-20030180223-A1 Magnetic resonance imaging LANTHEUS MEDICAL IMAGING, INC. 2003-09-25 US disclosed
WO-2003029257-A1 (ETHYLENE)-(PROPENE/BUTENE)-PHOSPHODIESTER TRIAMINE PENTAACETIC ACID DERIVATIVES SCHERING AKTIENGESELLSCHAFT (DE) 2003-04-10 WO disclosed
US-20020164289-A1 Medical diagnosis CITIZENS BANK, N.A. 2002-11-07 US disclosed
EP-0806968-A2 DIAGNOSTIC IMAGING CONTRAST AGENTS WITH EXTENDED BLOOD RETENTION Epix Medical, Inc. (US) 1997-11-19 EP disclosed
WO-1996023526-A2 DIAGNOSTIC IMAGING CONTRAST AGENTS WITH EXTENDED BLOOD RETENTION EPIX MEDICAL, INC. (US) 1996-08-08 WO disclosed
US-4673724-A FROM P-OXYBENZOYL AND 2-OXY-6-NAPHTHOYL COMPOUND TOYO BOSEKI KABUSHIKI KAISHA (JP) 1987-06-16 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 (5 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-20020164289-A1 Medical diagnosis FABP1, B2M, MB OPRM1 714/4885MEN1 587/4885CYP2C9 3830/4885
US-20030180223-A1 Magnetic resonance imaging BHMT, FABP1, FABP7 OPRM1 887/4885MEN1 807/4885CYP2C9 4385/4885
US-20040208827-A1 MEDICAL DIAGNOSIS; examining vasculature of a tissue, obtains a NMR image; reducing renal and hepatocellular uptake, lost less from the bloodstream, use a lower doses, retained by the blood for a prolonged period of time FABP1, BHMT, FABP3 OPRM1 664/4885MEN1 806/4885CYP2C9 2921/4885
US-20120107249-A1 Diagnostic Imaging Contrast Agents with Extended Blood Retention FABP1, B2M, BHMT OPRM1 1082/4885MEN1 577/4885CYP2C9 4039/4885
US-20040202613-A1 Chelate compounds FABP1, BHMT, FABP3 OPRM1 877/4885MEN1 966/4885CYP2C9 4161/4885

“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.