SCHEMBL6433401

SCHEMBL6433401

CC(C)c1ccc(NC(=O)N2CCN(c3ncccc3C#N)CC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 8/20 1.00
CA12 O43570 1/20 0.70
CA1 P00915 1/20 0.70
CA2 P00918 1/20 0.70
CA9 Q16790 1/20 0.70
TRPV1 Q8NER1 1/20 0.60

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
SCHEMBL3713787 0.86 PANK3 (0.76) PANK3CA12CA1CA2CA9
SCHEMBL6430270 0.85 TRPV1 (0.79) PANK3TRPV1
SCHEMBL6430141 0.85 TRPA1 (0.74) PANK3TRPV1
SCHEMBL14423741 0.84 PANK3 (0.72) PANK3TRPV1
SCHEMBL14423742 0.84 PANK3 (0.72) PANK3TRPV1
SCHEMBL6430919 0.81 TRPV1 (0.77) PANK3CA12CA1CA2CA9
SCHEMBL13931351 0.78 TRPV1 (0.71) PANK3CA12CA1CA2CA9
SCHEMBL21424057 0.78 PANK3 (1.00) PANK3CA12CA1CA2CA9
SCHEMBL21406387 0.78 PANK3 (1.00) PANK3TRPV1
SCHEMBL19748824 0.77 PANK3 (1.00) PANK3TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040176443-A1 Capsaicin receptor ligands NEUROGEN CORPORATION 2004-09-09 US claimed
EP-1301484-A2 CAPSAICIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2003-04-16 EP claimed
US-20020132853-A1 Capsaicin receptor ligands NEUROGEN CORPORATION 2002-09-19 US claimed
WO-2002008221-A2 CAPSAICIN RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2002-01-31 WO claimed
US-12552765-B2 Small molecule modulators of pantothenate kinases ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. 2026-02-17 US disclosed
US-20230321092-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH CASTOR ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. 2023-10-12 US 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-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
US-20190300499-A1 SMALL MOLECULE MODULATORS OF PANTOTHENATE KINASES ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2019-10-03 US disclosed
EP-1581225-A1 COMBINATION THERAPY FOR THE TREATMENT OF PAIN NEUROGEN CORPORATION (US) 2005-10-05 EP disclosed
US-20040142958-A1 Combination therapy for the treatment of pain NEUROGEN CORPORATION 2004-07-22 US disclosed
WO-2004054582-A1 COMBINATION THERAPY FOR THE TREATMENT OF PAIN NEUROGEN CORPORATION (US) 2004-07-01 WO 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 (9 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 PANK3 1573/4885CA12 902/4885CA1 1205/4885
US-11547709-B2 Methods of treating disorders associated with castor HMGCR, GCDH, CYP11A1 PANK3 1573/4885CA12 902/4885CA1 1205/4885
US-20210246113-A1 SMALL MOLECULE MODULATORS OF PANTOTHENATE KINASES PANK2, PANK1, PANK3 PANK3 3/4885CA12 4654/4885CA1 4709/4885
US-20040176443-A1 Capsaicin receptor ligands TRPV1, TRPV5, TRPV2 PANK3 3212/4885CA12 2322/4885CA1 2157/4885
US-12552765-B2 Small molecule modulators of pantothenate kinases PANK3, PANK1, PANK2 PANK3 1/4885CA12 3303/4885CA1 1990/4885
US-20040142958-A1 Combination therapy for the treatment of pain OPRK1, OPRL1, OPRM1 PANK3 2016/4885CA12 3808/4885CA1 1643/4885
US-20210023081-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH CASTOR HMGCR, GCDH, CYP11A1 PANK3 1573/4885CA12 902/4885CA1 1205/4885
US-20020132853-A1 Capsaicin receptor ligands TRPV1, TRPV5, TRPV2 PANK3 3212/4885CA12 2322/4885CA1 2157/4885
US-20190300499-A1 SMALL MOLECULE MODULATORS OF PANTOTHENATE KINASES PANK2, PANK1, PANK3 PANK3 3/4885CA12 4654/4885CA1 4709/4885

“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.