SCHEMBL30201433

SCHEMBL30201433

CC(C)(C)OC(=O)N1CCCC(CCc2cccc(C(F)(F)F)c2)(NC2CN(C(=O)OCc3ccccc3)C2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 4/20 0.43
CTSD P07339 1/20 0.42
BACE1 P56817 1/20 0.42
USP30 Q70CQ3 2/20 0.41
ENPP2 Q13822 1/20 0.39
ATXN2 Q99700 1/20 0.39
OPRM1 P35372 2/20 0.39
OPRD1 P41143 2/20 0.39
OPRK1 P41145 2/20 0.39
RORC P51449 2/20 0.38
PDK1 Q15118 1/20 0.37
PDK2 Q15119 1/20 0.37
PDK3 Q15120 1/20 0.37
PDK4 Q16654 1/20 0.37
TRPV4 Q9HBA0 1/20 0.37
YAP1 P46937 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL29328189 1.00 TACR1 (0.43) TACR1CTSDBACE1USP30ENPP2
SCHEMBL30200988 0.90 TACR1 (0.43) TACR1CTSDBACE1USP30ENPP2
SCHEMBL25090403 0.90 TACR1 (0.43) TACR1CTSDBACE1USP30ENPP2
SCHEMBL30201113 0.87 TACR1 (0.46) TACR1CTSDBACE1RORCYAP1
SCHEMBL29328336 0.87 TACR1 (0.46) TACR1CTSDBACE1RORCYAP1
SCHEMBL25090285 0.80 TACR1 (0.42) TACR1USP30CYP1A2CYP3A4CYP2D6
SCHEMBL25089757 0.80 TACR1 (0.41) TACR1USP30OPRM1OPRD1OPRK1
SCHEMBL30201099 0.80 TACR1 (0.41) TACR1USP30OPRM1OPRD1OPRK1
SCHEMBL30202124 0.79 TACR1 (0.45) TACR1CTSDBACE1OPRM1OPRD1
SCHEMBL29328339 0.79 TACR1 (0.45) TACR1CTSDBACE1OPRM1OPRD1

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
US-20240239766-A1 3-AMINO PIPERIDYL SODIUM CHANNEL INHIBITORS GENENTECH, INC. (US) 2024-07-18 US disclosed
WO-2023028056-A1 3-AMINO PIPERIDYL SODIUM CHANNEL INHIBITORS GENENTECH, INC. (US) 2023-03-02 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 (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-20240239766-A1 3-AMINO PIPERIDYL SODIUM CHANNEL INHIBITORS CACNA1E, TRPV1, SCN3A TACR1 174/4885CTSD 4624/4885BACE1 3482/4885

“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.