SCHEMBL24564600

SCHEMBL24564600

O=C(O)CCNCC(=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 3/20 0.56
▸ HRH3 Q9Y5N1 11/20 0.55
▸ AR P10275 2/20 0.51
▸ MEN1 O00255 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ KDM1A O60341 3/20 0.48
▸ MAOB P27338 2/20 0.48
▸ MAOA P21397 1/20 0.47

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
SCHEMBL24564684 0.93 SIGMAR1 (0.54) SIGMAR1HRH3ARMEN1ALDH1A1
SCHEMBL24564636 0.81 SIGMAR1 (0.66) SIGMAR1HRH3ARMEN1ALDH1A1
SCHEMBL24581230 0.79 SIGMAR1 (0.54) SIGMAR1HRH3ARMEN1ALDH1A1
SCHEMBL24564709 0.79 SIGMAR1 (0.56) SIGMAR1HRH3ARMEN1ALDH1A1
SCHEMBL24564650 0.79 HRH3 (0.62) SIGMAR1HRH3KDM1AMAOBMAOA
SCHEMBL24564669 0.79 SIGMAR1 (0.56) SIGMAR1HRH3ARMEN1ALDH1A1
SCHEMBL24564901 0.79 HRH3 (0.62) SIGMAR1HRH3KDM1AMAOBMAOA
SCHEMBL24564649 0.79 HRH3 (0.62) SIGMAR1HRH3KDM1AMAOBMAOA
SCHEMBL24564716 0.79 HRH3 (0.62) SIGMAR1HRH3KDM1AMAOBMAOA
SCHEMBL3656053 0.78 SIGMAR1 (0.66) SIGMAR1HRH3ARMEN1ALDH1A1

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
WO-2022140464-A1 COMPOUNDS AND METHODS FOR TREATING AUTOIMMUNE DISORDERS BY TARGETING HLA-DQ2 IMMUNOMOLECULAR THERAPEUTICS, INC. (US) 2022-06-30 — — WO disclosed
US-20220204471-A1 Compounds and Methods for Treating Autoimmune Disorders by Targeting HLA-DQ2 IMMUNOMOLECULAR THERAPEUTICS, INC. 2022-06-30 — — 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-20220204471-A1 Compounds and Methods for Treating Autoimmune Disorders by Targeting HLA-DQ2 HLA-DRB1, CD74, HLA-B SIGMAR1 4552/4885HRH3 393/4885AR 4325/4885

“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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