SCHEMBL24564653

SCHEMBL24564653

O=C(CSC1CCCC1)N1CCN(C(=O)[C@H]2C[C@H]2c2ccccc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 11/20 0.62
▸ ALDH1A1 P00352 1/20 0.61
▸ ALOX15 P16050 1/20 0.61
▸ MAPK1 P28482 1/20 0.61
▸ SIGMAR1 Q99720 3/20 0.56
▸ AR P10275 2/20 0.51

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
SCHEMBL24564604 1.00 HRH3 (0.62) HRH3ALDH1A1ALOX15MAPK1SIGMAR1
SCHEMBL24564554 1.00 HRH3 (0.62) HRH3ALDH1A1ALOX15MAPK1SIGMAR1
SCHEMBL24564641 1.00 HRH3 (0.62) HRH3ALDH1A1ALOX15MAPK1SIGMAR1
SCHEMBL24564724 1.00 HRH3 (0.62) HRH3ALDH1A1ALOX15MAPK1SIGMAR1
SCHEMBL24564687 0.99 HRH3 (0.63) HRH3ALDH1A1ALOX15MAPK1SIGMAR1
SCHEMBL24564654 0.99 HRH3 (0.63) HRH3ALDH1A1ALOX15MAPK1SIGMAR1
SCHEMBL24564551 0.99 HRH3 (0.63) HRH3ALDH1A1ALOX15MAPK1SIGMAR1
SCHEMBL24564601 0.89 ALDH1A1 (0.51) HRH3ALDH1A1ALOX15MAPK1SIGMAR1
SCHEMBL24580842 0.89 HRH3 (0.61) HRH3ALDH1A1SIGMAR1AR
SCHEMBL24580944 0.88 HRH3 (0.62) HRH3ALDH1A1ALOX15MAPK1SIGMAR1

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 HRH3 393/4885ALDH1A1 3804/4885ALOX15 1452/4885

“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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