SCHEMBL25090403

SCHEMBL25090403

CC(C)(C)OC(=O)N1CCCC(CCc2cccc(C(F)(F)F)c2)(NCC2CN(C(=O)OCc3ccccc3)C2)C1

nearest known ligand 0.43

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
NAMPT P43490 1/20 0.39
YAP1 P46937 3/20 0.39
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
RORC P51449 2/20 0.37
PDE4B Q07343 1/20 0.37
BRD4 O60885 1/20 0.37
ENPP2 Q13822 1/20 0.37
ATXN2 Q99700 1/20 0.37
ACKR3 P25106 1/20 0.37
USP30 Q70CQ3 1/20 0.37
TRPV4 Q9HBA0 1/20 0.36
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36
PDK4 Q16654 1/20 0.36

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
SCHEMBL30200988 1.00 TACR1 (0.43) TACR1CTSDBACE1NAMPTYAP1
SCHEMBL30201433 0.90 TACR1 (0.43) TACR1CTSDBACE1YAP1OPRM1
SCHEMBL29328189 0.90 TACR1 (0.43) TACR1CTSDBACE1YAP1OPRM1
SCHEMBL30201099 0.86 TACR1 (0.41) TACR1NAMPTOPRM1OPRD1OPRK1
SCHEMBL25089757 0.86 TACR1 (0.41) TACR1NAMPTOPRM1OPRD1OPRK1
SCHEMBL30201113 0.86 TACR1 (0.46) TACR1CTSDBACE1YAP1RORC
SCHEMBL29328336 0.86 TACR1 (0.46) TACR1CTSDBACE1YAP1RORC
SCHEMBL25090069 0.80 TACR1 (0.42) TACR1OPRM1OPRD1OPRK1USP30
SCHEMBL30201138 0.80 TACR1 (0.42) TACR1OPRM1OPRD1OPRK1USP30
SCHEMBL25090285 0.79 TACR1 (0.42) TACR1USP30

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-20240239766-A1 3-AMINO PIPERIDYL SODIUM CHANNEL INHIBITORS GENENTECH, INC. (US) 2024-07-18 US disclosed
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.