SCHEMBL31072439

SCHEMBL31072439

CCCC[C@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1cccnc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(N)=O

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NMUR2 Q9GZQ4 7/20 0.54
▸ NMUR1 Q9HB89 7/20 0.54
▸ OPRM1 P35372 5/20 0.53
▸ OPRD1 P41143 5/20 0.53
▸ APLNR P35414 2/20 0.52
▸ KISS1R Q969F8 1/20 0.51
▸ ABCB11 O95342 1/20 0.49
▸ DRD1 P21728 1/20 0.49
▸ GNRHR P30968 1/20 0.49
▸ MRGPRX2 Q96LB1 1/20 0.49

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
SCHEMBL31072447 0.97 NMUR2 (0.53) NMUR2NMUR1OPRM1OPRD1APLNR
SCHEMBL31072454 0.95 NMUR2 (0.55) NMUR2NMUR1OPRM1OPRD1APLNR
SCHEMBL31072476 0.94 NMUR2 (0.59) NMUR2NMUR1OPRM1OPRD1APLNR
SCHEMBL31072469 0.93 NMUR2 (0.54) NMUR2NMUR1OPRM1OPRD1APLNR
SCHEMBL31072451 0.93 NMUR2 (0.54) NMUR2NMUR1OPRM1OPRD1APLNR
SCHEMBL31072524 0.92 NMUR2 (0.57) NMUR2NMUR1OPRM1OPRD1APLNR
SCHEMBL31072463 0.92 APLNR (0.58) NMUR2NMUR1OPRM1OPRD1APLNR
SCHEMBL31072609 0.92 NMUR2 (0.56) NMUR2NMUR1OPRM1OPRD1APLNR
SCHEMBL31072456 0.92 NMUR2 (0.58) NMUR2NMUR1OPRM1OPRD1APLNR
SCHEMBL31072502 0.91 NMUR2 (0.58) NMUR2NMUR1OPRM1OPRD1APLNR

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-20240279278-A1 NMU RECEPTOR 2 AGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2024-08-22 — — US claimed
US-20240279278-A1 NMU RECEPTOR 2 AGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2024-08-22 — — 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-20240279278-A1 NMU RECEPTOR 2 AGONISTS NMUR2, NMUR1, NMBR NMUR2 1/4885NMUR1 2/4885OPRM1 18/4885

“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.

Send feedback