SCHEMBL20173779

SCHEMBL20173779

CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.48
CAPN1 P07384 5/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
CTSB P07858 1/20 0.46
ITGB3 P05106 8/20 0.46
ITGA2B P08514 8/20 0.46
F2 P00734 1/20 0.46
PRSS1 P07477 1/20 0.46
APLNR P35414 1/20 0.45
STAT3 P40763 1/20 0.43

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
SCHEMBL20173733 0.86 NMUR2 (0.54) F2PRSS1
SCHEMBL20173727 0.85 OPRM1 (0.54) ITGB3ITGA2BF2PRSS1
SCHEMBL20173781 0.84 ITGB3 (0.47) KMT2AHDAC1HDAC8ITGB3ITGA2B
SCHEMBL20173734 0.84 OPRM1 (0.54) F2PRSS1
SCHEMBL19380218 0.82 KMT2A (0.45) KMT2ACAPN1CTSB
SCHEMBL16924987 0.81 ITGB3 (0.52) KMT2AHDAC1HDAC8ITGB3ITGA2B
SCHEMBL9510956 0.81 KMT2A (0.52) KMT2ACAPN1HDAC1HDAC8CTSB
SCHEMBL22871635 0.81 OPRM1 (0.52) F2PRSS1
SCHEMBL24621853 0.80 CMA1 (0.52) HDAC8ITGB3ITGA2BF2PRSS1
SCHEMBL21318194 0.80 NMUR2 (0.51) F2PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10889543-B2 Fine-tune modulators of neuronal excitability for neuropsychiatric disorders THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-01-12 US disclosed
US-20190270705-A1 FINE-TUNE MODULATORS OF NEURONAL EXCITABILITY FOR NEUROPSYCHIATRIC DISORDERS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-09-05 US disclosed
WO-2018094335-A1 FINE-TUNE MODULATORS OF NEURONAL EXCITABILITY FOR NEUROPSYCHIATRIC DISORDERS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2018-05-24 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 (2 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-10889543-B2 Fine-tune modulators of neuronal excitability for neuropsychiatric disorders CACNG6, KCNN3, SCN1B KMT2A 883/4885CAPN1 2273/4885HDAC1 429/4885
US-20190270705-A1 FINE-TUNE MODULATORS OF NEURONAL EXCITABILITY FOR NEUROPSYCHIATRIC DISORDERS CACNG6, KCNN3, SCN1B KMT2A 883/4885CAPN1 2273/4885HDAC1 429/4885

“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.