SCHEMBL4406677

SCHEMBL4406677

NCC(=O)OC(=O)[C@@H]1CC(OC(=O)CN)CN1.O=C(O)[C@@H]1CC(OC(=O)[C@@H]2CCCN2)CN1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 2/20 0.31
CYP1A2 P05177 2/20 0.31
ALOX15 P16050 2/20 0.31
CYP2C19 P33261 2/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
CYP2D6 P10635 1/20 0.31
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
THRB P10828 1/20 0.31
KMT2A Q03164 1/20 0.31
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIA1 P42261 1/20 0.31
GRIA2 P42262 1/20 0.31
GRIA3 P42263 1/20 0.31
GRIA4 P48058 1/20 0.31

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
SCHEMBL6810012 0.85 CYP1A2 (0.42) NOS2CYP1A2ALOX15CYP2C19NOS3
SCHEMBL17187572 0.85 CYP1A2 (0.42) NOS2CYP1A2ALOX15CYP2C19NOS3
SCHEMBL302682 0.81 NOS2 (0.41) NOS2NOS3NOS1
Proline SCHEMBL11221263 0.77
SCHEMBL4398036 0.74 MEN1 (0.35) SLC1A2MEN1KMT2AARG1
SCHEMBL1508068 0.73 MEN1 (0.39) NOS2CYP1A2ALOX15CYP2C19NOS3
SCHEMBL13519375 0.73 NOS2 (0.35) NOS2NOS3NOS1ARG1
SCHEMBL3105759 0.73 CYP2D6 (0.41) CYP1A2ALOX15CYP2C19CYP2D6SLC1A3
Serine SCHEMBL181142 0.72 NOS2 (0.32) NOS2NOS3NOS1
SCHEMBL2029987 0.70 CYP2D6 (0.43) CYP1A2ALOX15CYP2C19CYP2D6SLC1A3

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-20240041792-A1 TOPICAL COMPOSITIONS AND USES THEREOF TRUETIVA, Inc. (US) 2024-02-08 US disclosed
WO-2024023715-A1 TOPICAL COMPOSITIONS AND USES THEREOF Truetiva Inc. (US) 2024-02-01 WO disclosed
EP-4221687-A1 COMPOSITIONS AND METHODS FOR PAIN RELIEF AND NUMBING Ziropa, Inc. (US) 2023-08-09 EP disclosed
US-20230240992-A9 COMPOSITIONS AND METHODS FOR TOPICAL DELIVERY RELIEVE THERAPEUTICS PTE. LTD. (SG) 2023-08-03 US disclosed
EP-4192436-A1 COMPOSITIONS AND METHODS FOR TOPICAL DELIVERY Ziropa, Inc. (US) 2023-06-14 EP disclosed
WO-2023080886-A1 COMPOSITIONS AND METHODS FOR PAIN RELIEF AND NUMBING Ziropa, Inc. (US) 2023-05-11 WO disclosed
WO-2023048748-A1 COMPOSITIONS AND METHODS FOR TOPICAL DELIVERY Ziropa, Inc. (US) 2023-03-30 WO disclosed
US-20220160689-A1 COMPOSITIONS AND METHODS FOR PAIN RELIEF AND NUMBING Ziropa, Inc. (US) 2022-05-26 US disclosed
EP-3694489-A2 METHODS AND COMPOSITIONS FOR TOPICAL DELIVERY Illustris Pharmaceuticals, Inc. (US) 2020-08-19 EP disclosed
WO-2019075263-A2 METHODS AND COMPOSITIONS FOR TOPICAL DELIVERY ILLUSTRIS PHARMACEUTICALS, INC. (US) 2019-04-18 WO disclosed
US-20190105261-A1 METHODS AND COMPOSITIONS FOR TOPICAL DELIVERY ILLUSTRIS PHARMACEUTICALS, INC. 2019-04-11 US disclosed
US-7560430-B2 To stimulate the endogenous production of Elastin or appear to enhance the elasticity of the skin HUMAN MATRIX SCIENCES, LLC (US) 2009-07-14 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 (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-20240041792-A1 TOPICAL COMPOSITIONS AND USES THEREOF COL14A1, COL2A1, COL1A1 NOS2 3098/4885CYP1A2 3286/4885ALOX15 141/4885

“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.