SCHEMBL21423744

SCHEMBL21423744

N#Cc1ccc(N2CCN(C(=O)NC3C4CC5CC(C4)CC3C5)CC2)nc1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 7/20 0.55
▸ PANK3 Q9H999 9/20 0.55
▸ CHRM4 P08173 1/20 0.49
▸ CNR2 P34972 1/20 0.48
▸ EPHX2 P34913 1/20 0.47
▸ DPP4 P27487 1/20 0.45
▸ DPP8 Q6V1X1 1/20 0.45
▸ DPP9 Q86TI2 1/20 0.45

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
SCHEMBL4215598 0.83 HSD11B1 (0.57) HSD11B1PANK3
SCHEMBL26502479 0.83 PANK3 (0.54) HSD11B1PANK3CNR2
SCHEMBL32675216 0.80 KDM4E (0.64) HSD11B1PANK3CHRM4CNR2EPHX2
SCHEMBL21406316 0.80 PANK3 (0.57) PANK3CHRM4CNR2
SCHEMBL1036229 0.79 HSD11B1 (0.58) HSD11B1EPHX2DPP4DPP8DPP9
SCHEMBL1036231 0.79 HSD11B1 (0.58) HSD11B1EPHX2DPP4DPP8DPP9
SCHEMBL21406054 0.77 PANK3 (0.81) PANK3CNR2
SCHEMBL32675217 0.77 PANK3 (0.81) PANK3CNR2
SCHEMBL21423853 0.76 PANK3 (0.69) PANK3CHRM4CNR2
SCHEMBL19748780 0.76 PANK3 (0.69) PANK3CHRM4CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025227071-A1 METHODS AND COMPOSITIONS FOR TREATING HEART FAILURE AND LIVER DISEASE THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2025-10-30 — — WO claimed
WO-2025227071-A1 METHODS AND COMPOSITIONS FOR TREATING HEART FAILURE AND LIVER DISEASE THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2025-10-30 — — WO disclosed
US-20230321092-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH CASTOR ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. 2023-10-12 — — US disclosed
US-11547709-B2 Methods of treating disorders associated with castor ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. (US) 2023-01-10 — — US disclosed
WO-2022133034-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH CASTOR ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. (US) 2022-06-23 — — WO disclosed
US-20210246113-A1 SMALL MOLECULE MODULATORS OF PANTOTHENATE KINASES ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. 2021-08-12 — — US disclosed
US-20210023081-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH CASTOR ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. 2021-01-28 — — US disclosed
US-20190300499-A1 SMALL MOLECULE MODULATORS OF PANTOTHENATE KINASES ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2019-10-03 — — 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 (5 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-20230321092-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH CASTOR HMGCR, GCDH, CYP11A1 HSD11B1 56/4885PANK3 1573/4885CHRM4 3845/4885
US-11547709-B2 Methods of treating disorders associated with castor HMGCR, GCDH, CYP11A1 HSD11B1 56/4885PANK3 1573/4885CHRM4 3845/4885
US-20210246113-A1 SMALL MOLECULE MODULATORS OF PANTOTHENATE KINASES PANK2, PANK1, PANK3 HSD11B1 4379/4885PANK3 3/4885CHRM4 4525/4885
US-20210023081-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH CASTOR HMGCR, GCDH, CYP11A1 HSD11B1 56/4885PANK3 1573/4885CHRM4 3845/4885
US-20190300499-A1 SMALL MOLECULE MODULATORS OF PANTOTHENATE KINASES PANK2, PANK1, PANK3 HSD11B1 4379/4885PANK3 3/4885CHRM4 4525/4885

“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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