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SCHEMBL29599885

SCHEMBL29599885

CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O)C(C)C

nearest known ligand 0.75

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 6/20 0.68
▸ KDM1A O60341 3/20 0.67
▸ MAOB P27338 1/20 0.66
▸ KDM5A P29375 1/20 0.66
▸ KDM1B Q8NB78 1/20 0.66
▸ NPY2R P49146 7/20 0.63
▸ NPY4R P50391 7/20 0.63
▸ NPY5R Q15761 7/20 0.63
▸ NPY1R P25929 5/20 0.63

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
SCHEMBL29361709 0.93 TFPI (0.71) TFPIKDM1AMAOBKDM5AKDM1B
SCHEMBL30429908 0.91 KDM1A (0.65) TFPIKDM1AMAOBKDM5AKDM1B
SCHEMBL29514899 0.90 KDM1A (0.66) TFPIKDM1AMAOBKDM5AKDM1B
SCHEMBL30432021 0.90 NPY2R (0.68) TFPINPY2RNPY4RNPY5RNPY1R
SCHEMBL29903370 0.90 NPY2R (0.64) TFPIKDM1AMAOBKDM5AKDM1B
SCHEMBL30495701 0.89 NPY2R (0.64) TFPIKDM1AMAOBKDM5AKDM1B
SCHEMBL31072603 0.89 TFPI (0.72) TFPIKDM1AMAOBKDM5AKDM1B
SCHEMBL29514978 0.89 KDM1A (0.64) TFPIKDM1AMAOBKDM5AKDM1B
SCHEMBL30607334 0.89 NPY2R (0.68) TFPIKDM1ANPY2RNPY4RNPY5R
SCHEMBL30432635 0.89 NPY2R (0.64) TFPIKDM1AMAOBKDM5AKDM1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260015393-A1 NOVEL NMU RECEPTOR 2 AGONISTS BOEHRINGER INGELHEIM INT (DE) 2026-01-15 — — US disclosed
EP-4648849-A1 NMU RECEPTOR 2 AGONISTS Boehringer Ingelheim International GmbH (DE) 2025-11-19 — — EP disclosed
US-20250179130-A1 METHODS AND SYSTEMS FOR DESIGNING AND/OR CHARACTERIZING SOLUBLE LIPIDATED LIGAND AGENTS ON TARGET THERAPEUTICS LLC 2025-06-05 — — US disclosed
US-12161694-B2 Methods and compositions for regulating innate lymphoid cell inflammatory responses THE BROAD INSTITUTE, INC. (US) 2024-12-10 — — US disclosed
US-20240279278-A1 NMU RECEPTOR 2 AGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2024-08-22 — — US disclosed
US-12060397-B2 Soluble lipidated ligand agents for treating eye inflammation TUFTS MEDICAL CENTER (US) 2024-08-13 — — US disclosed
WO-2024149820-A1 NMU RECEPTOR 2 AGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2024-07-18 — — WO disclosed
WO-2023172032-A1 COMPOSITION FOR PREVENTING OR TREATING CANCER COMPRISING NMUR2 INHIBITOR AS ACTIVE INGREDIENT 한국생명공학연구원 2023-09-14 — — WO disclosed
US-20220135633-A1 METHODS AND SYSTEMS FOR DESIGNING AND/OR CHARACTERIZING SOLUBLE LIPIDATED LIGAND AGENTS ON TARGET THERAPEUTICS LLC 2022-05-05 — — 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 (6 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-20220135633-A1 METHODS AND SYSTEMS FOR DESIGNING AND/OR CHARACTERIZING SOLUBLE LIPIDATED LIGAND AGENTS LDLR, HDLBP, LIPG TFPI 1375/4885KDM1A 4349/4885MAOB 4302/4885
US-20260015393-A1 NOVEL NMU RECEPTOR 2 AGONISTS NMUR2, NMUR1, GPR18 TFPI 3279/4885KDM1A 2035/4885MAOB 4614/4885
US-20240279278-A1 NMU RECEPTOR 2 AGONISTS NMUR2, NMUR1, NMBR TFPI 2855/4885KDM1A 3365/4885MAOB 1409/4885
US-12161694-B2 Methods and compositions for regulating innate lymphoid cell inflammatory responses NMUR1, NMUR2, IL33 TFPI 2191/4885KDM1A 3651/4885MAOB 4426/4885
US-20250179130-A1 METHODS AND SYSTEMS FOR DESIGNING AND/OR CHARACTERIZING SOLUBLE LIPIDATED LIGAND AGENTS LDLR, HDLBP, LIPG TFPI 1375/4885KDM1A 4349/4885MAOB 4302/4885
US-12060397-B2 Soluble lipidated ligand agents for treating eye inflammation LIPG, CD40, LDLR TFPI 747/4885KDM1A 3150/4885MAOB 4400/4885

“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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