SCHEMBL126967

SCHEMBL126967

CCN(CC)CCCC(N)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 8/20 0.56
NOS2 P35228 8/20 0.56
NOS3 P29474 6/20 0.56
GSR P00390 1/20 0.50
DDAH1 O94760 3/20 0.47
CYP2C19 P33261 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ARG2 P78540 4/20 0.46
ARG1 P05089 3/20 0.46
CYP1A2 P05177 2/20 0.44
TSHR P16473 2/20 0.44
CYP3A4 P08684 1/20 0.44
GLA P06280 1/20 0.44
NFKB1 P19838 1/20 0.44
APEX1 P27695 1/20 0.44

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
SCHEMBL25662318 1.00 NOS1 (0.56) NOS1NOS2NOS3GSRDDAH1
SCHEMBL23682855 1.00 NOS1 (0.56) NOS1NOS2NOS3GSRDDAH1
SCHEMBL23682813 0.94 GSR (0.53) NOS1NOS2NOS3GSRDDAH1
SCHEMBL23815592 0.94 GSR (0.53) NOS1NOS2NOS3GSRDDAH1
SCHEMBL304049 0.88 SLC1A3 (0.46) NOS1NOS2NOS3GSRDDAH1
SCHEMBL304048 0.88 SLC1A3 (0.46) NOS1NOS2NOS3GSRDDAH1
SCHEMBL13233386 0.84 GSR (0.47) NOS1NOS2NOS3GSRDDAH1
SCHEMBL15710769 0.81 SIGMAR1 (0.42) MEN1KMT2ACYP1A2CYP3A4
SCHEMBL1851220 0.81 NOS2 (0.53) NOS1NOS2NOS3GSRDDAH1
SCHEMBL24642458 0.81 GSR (0.52) NOS1NOS2NOS3GSRDDAH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230158179-A1 RADIOPHARMACEUTICAL CONJUGATE COMPOSITIONS AND USES THEREOF RAYZEBIO, INC. 2023-05-25 US disclosed
US-20210284629-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE Design Therapeutics, Inc. 2021-09-16 US disclosed
US-20150079179-A1 SUSTAINED RELEASE FORMULATIONS OF PEPTIDOMIMETIC DRUGS AND USES THEREOF JERINI OPHTHALMIC INC (US) 2015-03-19 US disclosed
US-20120244192-A1 SUSTAINED RELEASE FORMULATIONS OF PEPTIDOMIMETIC DRUGS AND USES THEREOF JERINI OPHTHALMIC INC. 2012-09-27 US disclosed
EP-2424556-A1 SUSTAINED RELEASE FORMULATIONS OF PEPTIDOMIMETIC DRUGS AND USES THEREOF Jerini Ophthalmic Inc. (US) 2012-03-07 EP disclosed
US-20110003756-A1 C5a Receptor Antagonists JERINI AG (DE) 2011-01-06 US disclosed
WO-2010126833-A1 SUSTAINED RELEASE FORMULATIONS OF PEPTIDOMIMETIC DRUGS AND USES THEREOF JERINI OPHTHALMIC INC. (US) 2010-11-04 WO disclosed
US-7727960-B2 C5a receptor antagonists JERINI AG (DE) 2010-06-01 US disclosed
US-20080161232-A1 C5a is a cleavage product of the complement cascade, the CS convertase; antiinflammatory agents; autoimmune diseases; cyclic peptide compounds JERINI AG (DE) 2008-07-03 US disclosed
CN-101119724-A Substituted pyrazoles as modulators of chemokine receptors MERCK & CO INC (US) 2008-02-06 CN disclosed
CN-101107264-A C5a receptor antagonists JERINI AG (DE) 2008-01-16 CN disclosed
US-20060183883-A1 C5a Receptor antagonists JERINI AG (DE) 2006-08-17 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-20060183883-A1 C5a Receptor antagonists C5AR1, C3AR1, C5AR2 NOS1 610/4885NOS2 811/4885NOS3 369/4885
US-20110003756-A1 C5a Receptor Antagonists C5AR1, C3AR1, C5AR2 NOS1 608/4885NOS2 718/4885NOS3 362/4885
US-20230158179-A1 RADIOPHARMACEUTICAL CONJUGATE COMPOSITIONS AND USES THEREOF PAICS, LNPEP, DNPEP NOS1 4365/4885NOS2 4269/4885NOS3 4446/4885
US-20080161232-A1 C5a is a cleavage product of the complement cascade, the CS convertase; antiinflammatory agents; autoimmune diseases; cyclic peptide compounds C3AR1, C5, C5AR1 NOS1 621/4885NOS2 1018/4885NOS3 231/4885
US-20210284629-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE NEDD4, UBQLN2, UBTF NOS1 4697/4885NOS2 4780/4885NOS3 4678/4885

“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.