SCHEMBL4859643

SCHEMBL4859643

CSCC[C@H](NC(C)=O)C(=O)N1CCNCC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPID Q08752 1/20 0.45
NPC1 O15118 1/20 0.44
CCR1 P32246 1/20 0.41
UBE2N P61088 1/20 0.40
TSHR P16473 1/20 0.40
GFER P55789 1/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
CCKBR P32239 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
POLB P06746 1/20 0.36

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
SCHEMBL14066122 1.00 PPID (0.45) PPIDNPC1CCR1UBE2NTSHR
SCHEMBL28491402 0.84 PPID (0.46) PPIDNPC1CCR1UBE2NTSHR
SCHEMBL7713758 0.80 SMN1; SMN2 (0.50) KMT2AALDH1A1KDM4E
SCHEMBL4863045 0.78 TSHR (0.53) PPIDNPC1CCR1UBE2NTSHR
SCHEMBL14066124 0.78 TSHR (0.53) PPIDNPC1CCR1UBE2NTSHR
SCHEMBL4860453 0.77 PPID (0.40) PPIDNPC1CCR1UBE2NTSHR
SCHEMBL6013884 0.77 PPID (0.40) PPIDNPC1CCR1UBE2NTSHR
SCHEMBL6013883 0.77 PPID (0.40) PPIDNPC1CCR1UBE2NTSHR
SCHEMBL23394687 0.77 CHRM5 (0.36) KMT2AALDH1A1KDM4EMEN1
SCHEMBL21036085 0.77 SIGMAR1 (0.37) KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7425218-B2 Nitric oxide-releasing medical devices THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2008-09-16 US disclosed
EP-1666047-A1 Pharmaceutical compositions comprising nitric oxide-releasing pyrrolidones The Government of the United States of America As represented by the Secretary of the Department Of Health and Human Services (US) 2006-06-07 EP disclosed
EP-0793500-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING NITRIC OXIDE-RELEASING POLYSACCHARIDES US GOV HEALTH & HUMAN SERV (US) 2006-05-03 EP disclosed
US-20020119115-A1 Nitric oxide-releasing medical devices OFFICE OF TECHNOLOGY TRANSFER, NATIONAL INSTITUTES OF HEALTH (US) 2002-08-29 US disclosed
US-6379660-B1 BIOPOLYMERS; ADMINISTERING THERAPY DOSAGE; ANTITUMOR AGENTS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES 2002-04-30 US disclosed
US-6200558-B1 PEPTIDE, POLYPEPTIDE, PROTEIN, OLIGONUCLEOTIDE OR NUCLEIC ACID, TO WHICH IS BOUND A NITRIC OXIDE-RELEASING N2O2-FUNCTIONAL GROUP THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES 2001-03-13 US disclosed
US-5721365-A N-substituted piperazine NONOates HEALTH AND HUMAN SERVICES, DEPARTMENT OF, UNITED STATES, AS REPRESENTED BY ITS SECRETARY 1998-02-24 US disclosed
US-5700830-A Use of nitric oxide-releasing agents for reducing metastasis risk THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1997-12-23 US disclosed
EP-0804177-A1 USE OF NITRIC OXIDE-RELEASING AGENTS FOR REDUCING METASTASIS RISK THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, Department of Health and Human Services (US) 1997-11-05 EP disclosed
US-5632981-A Biopolymer-bound nitric oxide-releasing compositions, pharmaceutical compositions incorporating same and methods of treating biological disorders using same THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1997-05-27 US disclosed
WO-1996015781-A1 USE OF NITRIC OXIDE-RELEASING AGENTS FOR REDUCING METASTASIS RISK THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1996-05-30 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 (1 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-20020119115-A1 Nitric oxide-releasing medical devices NOS2, NOS1, NOS3 PPID 2360/4885NPC1 4318/4885CCR1 2171/4885

“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.