SCHEMBL2182409

SCHEMBL2182409

CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)C(N)CC(C)C

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.43
OPRK1 P41145 6/20 0.43
NMUR2 Q9GZQ4 2/20 0.43
NMUR1 Q9HB89 2/20 0.43
CXCR4 P61073 3/20 0.42
NTSR2 O95665 3/20 0.42
NTSR1 P30989 3/20 0.42
SORT1 Q99523 1/20 0.41
MMP1 P03956 1/20 0.41
MMP3 P08254 1/20 0.41

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
SCHEMBL30341827 1.00 OPRM1 (0.43) OPRM1OPRK1NMUR2NMUR1CXCR4
SCHEMBL29425244 1.00 OPRM1 (0.43) OPRM1OPRK1NMUR2NMUR1CXCR4
Hydrochloric Acid SCHEMBL11594041 0.99 OPRM1 (0.43) OPRM1OPRK1NMUR2NMUR1CXCR4
Hydrochloric Acid SCHEMBL11591298 0.99 OPRM1 (0.43) OPRM1OPRK1NMUR2NMUR1CXCR4
Hydrochloric Acid SCHEMBL11581218 0.99 OPRM1 (0.43) OPRM1OPRK1NMUR2NMUR1CXCR4
Acetic Acid SCHEMBL1307421 0.97 OPRM1 (0.44) OPRM1OPRK1NMUR2NMUR1CXCR4
Acetic Acid SCHEMBL2268904 0.97 OPRM1 (0.44) OPRM1OPRK1NMUR2NMUR1CXCR4
Acetic Acid SCHEMBL20769309 0.95 OPRM1 (0.47) OPRM1OPRK1NMUR2NMUR1NTSR2
Acetic Acid SCHEMBL20769302 0.95 OPRM1 (0.47) OPRM1OPRK1NMUR2NMUR1NTSR2
Acetic Acid SCHEMBL2193528 0.95 OPRM1 (0.47) OPRM1OPRK1NMUR2NMUR1NTSR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9173951-B2 Carbohydrate-based drug delivery polymers and conjugates thereof NEKTAR THERAPEUTICS (US) 2015-11-03 US disclosed
US-20150051371-A1 CARBOHYDRATE-BASED DRUG DELIVERY POLYMERS AND CONJUGATES THEREOF NEKTAR THERAPEUTICS (US) 2015-02-19 US disclosed
US-20110166063-A1 POLYMER CONJUGATES OF THERAPEUTIC PEPTIDES NEKTAR THERAPEUTICS (US) 2011-07-07 US disclosed
US-20050058725-A1 Combination therapy including a matrix metalloproteinase inhibitor and an antineoplastic agent MCKEARN JOHN P (US) 2005-03-17 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 (3 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-20150051371-A1 CARBOHYDRATE-BASED DRUG DELIVERY POLYMERS AND CONJUGATES THEREOF STT3B, STT3A, DDOST OPRM1 3352/4885OPRK1 3229/4885NMUR2 4295/4885
US-20050058725-A1 Combination therapy including a matrix metalloproteinase inhibitor and an antineoplastic agent MMP3, MMP10, MMP25 OPRM1 4215/4885OPRK1 4410/4885NMUR2 1020/4885
US-20110166063-A1 POLYMER CONJUGATES OF THERAPEUTIC PEPTIDES NGLY1, CD44, IAPP OPRM1 2317/4885OPRK1 2737/4885NMUR2 2186/4885

“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.