SCHEMBL29426618

SCHEMBL29426618

CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CN)[C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 3/20 0.52
▸ OPRM1 P35372 2/20 0.49
▸ OPRD1 P41143 2/20 0.49
▸ OPRK1 P41145 2/20 0.49
▸ CAPN1 P07384 2/20 0.46
▸ NPY2R P49146 6/20 0.46
▸ NPY4R P50391 6/20 0.46
▸ NPY5R Q15761 6/20 0.46
▸ NPY1R P25929 4/20 0.46
▸ KEAP1 Q14145 1/20 0.46
▸ APLNR P35414 1/20 0.45
▸ RAMP3 O60896 1/20 0.45
▸ CALCR P30988 1/20 0.45

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
SCHEMBL31613776 0.96 CALCRL (0.53) CALCRLOPRM1OPRD1OPRK1CAPN1
SCHEMBL30432896 0.86 CALCRL (0.51) CALCRLNPY2RNPY4RNPY5RNPY1R
SCHEMBL38659141 0.86 CALCRL (0.45) CALCRLOPRM1OPRD1OPRK1NPY2R
SCHEMBL30166936 0.85 NPY2R (0.50) CALCRLNPY2RNPY4RNPY5RNPY1R
SCHEMBL30571129 0.84 CAPN1 (0.52) OPRM1OPRD1OPRK1CAPN1NPY2R
SCHEMBL31500764 0.84 CALCRL (0.48) CALCRLOPRM1OPRK1
SCHEMBL30495754 0.84 NPY2R (0.49) CALCRLOPRM1OPRD1OPRK1NPY2R
SCHEMBL31228800 0.84 OPRM1 (0.48) OPRM1OPRD1OPRK1CAPN1KEAP1
SCHEMBL30443912 0.84 CALCRL (0.48) CALCRLCAPN1KEAP1
SCHEMBL29461372 0.84 OPRD1 (0.51) OPRM1OPRD1OPRK1APLNR

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
EP-4565281-A1 SITE-SPECIFIC MODIFICATION BY A BBB-SHUTTLE OF ANTIBODY-BASED ENTITIES FOR CROSSING THE BLOOD-BRAIN BARRIER Gate2Brain, S.L. (ES) 2025-06-11 — — EP claimed
US-20260000784-A1 PEPTIDIC WATER-SOLUBLE DELIVERY SYSTEM OF ANTICANCER DRUGS HOSPITAL SANT JOAN DE DEU (ES) 2026-01-01 — — US disclosed
EP-4565281-A1 SITE-SPECIFIC MODIFICATION BY A BBB-SHUTTLE OF ANTIBODY-BASED ENTITIES FOR CROSSING THE BLOOD-BRAIN BARRIER Gate2Brain, S.L. (ES) 2025-06-11 — — EP disclosed
CN-119947759-A Site-specific modification of BBB-shuttling agents through antibody-based entities for crossing the blood brain barrier 盖特2布莱恩有限责任公司 2025-05-06 — — CN disclosed
EP-4499150-A1 PEPTIDIC WATER-SOLUBLE DELIVERY SYSTEM OF ANTICANCER DRUGS Hospital Sant Joan de Deu (ES) 2025-02-05 — — EP disclosed
EP-4217007-B9 PEPTIDIC CONJUGATES OF SN38 USEFUL IN THE TREATMENT OF CANCER FUNDACIO INST DE RECERCA BIOMEDICA IRB BARCELONA (ES) 2025-01-15 — — EP disclosed
EP-4217007-B1 PEPTIDIC CONJUGATES OF SN38 USEFUL IN THE TREATMENT OF CANCER FUNDACIO INST DE RECERCA BIOMEDICA IRB BARCELONA (ES) 2024-11-06 — — EP disclosed
US-20240285784-A1 PEPTIDIC CONJUGATES OF SN38 USEFUL IN THE TREATMENT OF CANCER HOSPITAL SANT JOAN DE DEU (ES) 2024-08-29 — — US disclosed
WO-2023186822-A1 PEPTIDIC WATER-SOLUBLE DELIVERY SYSTEM OF ANTICANCER DRUGS HOSPITAL SANT JOAN DE DEU (ES) 2023-10-05 — — WO disclosed
EP-4217007-A1 PEPTIDIC CONJUGATES OF SN38 USEFUL IN THE TREATMENT OF CANCER Fundació Institut de Recerca Biomèdica (IRB Barcelona) (ES) 2023-08-02 — — EP disclosed
WO-2022064052-A1 PEPTIDIC CONJUGATES OF SN38 USEFUL IN THE TREATMENT OF CANCER FUNDACIÓ INSTITUT DE RECERCA BIOMÈDICA (IRB BARCELONA) (ES) 2022-03-31 — — 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 (2 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-20240285784-A1 PEPTIDIC CONJUGATES OF SN38 USEFUL IN THE TREATMENT OF CANCER NGLY1, DNPEP, LNPEP CALCRL 3809/4885OPRM1 2804/4885OPRD1 3995/4885
US-20260000784-A1 PEPTIDIC WATER-SOLUBLE DELIVERY SYSTEM OF ANTICANCER DRUGS TP53, SGMS1, ABCB11 CALCRL 661/4885OPRM1 2730/4885OPRD1 3302/4885

“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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