SCHEMBL29671012

SCHEMBL29671012

CCC(C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)CO)C(C)CC)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)C(C)C)C(C)C

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NTSR1 P30989 4/20 0.54
▸ NTSR2 O95665 3/20 0.54
▸ PCSK9 Q8NBP7 2/20 0.53
▸ PTPN1 P18031 1/20 0.52
▸ KISS1R Q969F8 2/20 0.52
▸ NPY1R P25929 1/20 0.52
▸ NPY2R P49146 1/20 0.52
▸ NPY4R P50391 1/20 0.52
▸ AGTR2 P50052 2/20 0.51
▸ OPRD1 P41143 1/20 0.50
▸ OPRL1 P41146 1/20 0.50

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
Laminin SCHEMBL29354054 0.90 NTSR1 (0.56) NTSR1NTSR2PTPN1NPY1RNPY2R
Laminin SCHEMBL29359946 0.90 NTSR1 (0.56) NTSR1NTSR2PTPN1NPY1RNPY2R
SCHEMBL29502171 0.88 QRFPR (0.57) NTSR1NTSR2PTPN1NPY1RNPY2R
SCHEMBL31756855 0.87 NTSR1 (0.66) NTSR1NTSR2NPY1RNPY2RNPY4R
SCHEMBL30342513 0.83 OPRD1 (0.57) KISS1ROPRD1
SCHEMBL29389638 0.82 NPY1R (0.65) NTSR1NTSR2NPY1RNPY2RNPY4R
SCHEMBL29474946 0.82 NPY1R (0.61) NTSR1NTSR2KISS1RNPY1RNPY2R
SCHEMBL29942466 0.81 NPY1R (0.73) NTSR1NTSR2NPY1RNPY2RNPY4R
SCHEMBL31366722 0.81 BACE1 (0.54) OPRD1
SCHEMBL30088888 0.80 NPY1R (0.62) NTSR1NTSR2PTPN1NPY1RNPY2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12540313-B2 ADH protein family mutant and use thereof KANGMA-HEALTHCODE (SHANGHAI) BIOTECH CO., LTD. (CN) 2026-02-03 — — US disclosed
CN-110551700-B ADH protein family mutant and application thereof 康码(上海)生物科技有限公司 2022-06-21 — — CN 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-12540313-B2 ADH protein family mutant and use thereof ADH1A, ADH1C, ADH5 NTSR1 4434/4885NTSR2 4214/4885PCSK9 3748/4885

“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.

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