SCHEMBL29833907

SCHEMBL29833907

CC(C)C[C@@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 10/20 0.61
▸ KISS1R Q969F8 4/20 0.56
▸ PTGS1 P23219 1/20 0.53
▸ CAPN1 P07384 2/20 0.51
▸ CTSB P07858 2/20 0.51
▸ NTSR2 O95665 1/20 0.51
▸ NTSR1 P30989 1/20 0.51
▸ SORT1 Q99523 1/20 0.51
▸ CTSL P07711 1/20 0.50
▸ CTSH P09668 1/20 0.50
▸ CTSS P25774 1/20 0.50
▸ CTSK P43235 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
SCHEMBL1307858 0.95 KISS1R (0.58) CXCR4KISS1RPTGS1CAPN1CTSB
SCHEMBL30567818 0.95 KISS1R (0.58) CXCR4KISS1RPTGS1CAPN1CTSB
Hydrochloric Acid SCHEMBL11644315 0.94 KISS1R (0.57) CXCR4KISS1RPTGS1CAPN1CTSB
SCHEMBL5167427 0.92 KISS1R (0.67) CXCR4KISS1RPTGS1
SCHEMBL5167437 0.92 KISS1R (0.67) CXCR4KISS1RPTGS1
SCHEMBL29833824 0.92 CXCR4 (0.52) CXCR4KISS1RPTGS1CTSLCTSH
SCHEMBL30007711 0.91 KISS1R (0.62) CXCR4KISS1RCAPN1CTSBNTSR2
SCHEMBL30567819 0.91 KISS1R (0.64) CXCR4KISS1RPTGS1
SCHEMBL11593491 0.89 KISS1R (0.56) CXCR4KISS1RPTGS1CAPN1CTSB
SCHEMBL29942444 0.89 KISS1R (0.56) CXCR4KISS1RPTGS1CAPN1CTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240033320-A1 IMMUNORHELIN COMPOUNDS FOR INTRACELLULAR INFECTIONS ISR Immune System Regulation Holding AB (publ) (SE) 2024-02-01 — — US claimed
US-11564969-B2 Immunorhelin compounds for intracellular infections ISR Immune System Regulation Holding AB (publ) (SE) 2023-01-31 — — US claimed
US-20240033320-A1 IMMUNORHELIN COMPOUNDS FOR INTRACELLULAR INFECTIONS ISR Immune System Regulation Holding AB (publ) (SE) 2024-02-01 — — US disclosed
US-20230118205-A1 NOVEL COMPOUNDS (IMMUNORHELINS) ISR IMMUNE SYSTEM REGULATION HOLDING AB PUBL (SE) 2023-04-20 — — US disclosed
US-11564969-B2 Immunorhelin compounds for intracellular infections ISR Immune System Regulation Holding AB (publ) (SE) 2023-01-31 — — US disclosed
US-11434258-B2 Compounds (immunorhelins) ISR Immune System Regulation Holding AB (SE) 2022-09-06 — — 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 (4 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-20230118205-A1 NOVEL COMPOUNDS (IMMUNORHELINS) GNRHR, FSHR, LHCGR CXCR4 281/4885KISS1R 20/4885PTGS1 3702/4885
US-20240033320-A1 IMMUNORHELIN COMPOUNDS FOR INTRACELLULAR INFECTIONS GNRHR, GHRHR, FSHR CXCR4 633/4885KISS1R 40/4885PTGS1 3887/4885
US-11564969-B2 Immunorhelin compounds for intracellular infections GNRHR, GHRHR, FSHR CXCR4 633/4885KISS1R 40/4885PTGS1 3887/4885
US-11434258-B2 Compounds (immunorhelins) GNRHR, FSHR, LHCGR CXCR4 291/4885KISS1R 19/4885PTGS1 3304/4885

“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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