SCHEMBL25531111

SCHEMBL25531111

CC(Cc1ccc(C(C)(C)C)cc1)N[C@H]1CC[C@H](C)C1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 1/20 0.50
▸ ACACB O00763 5/20 0.45
▸ TRPV1 Q8NER1 5/20 0.42
▸ SIGMAR1 Q99720 3/20 0.41
▸ EBP Q15125 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ KDM1A O60341 1/20 0.35
▸ GRIA4 P48058 1/20 0.34

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
SCHEMBL25531150 0.85 SLC6A4 (0.49) SLC6A4ACACBTRPV1SIGMAR1EBP
SCHEMBL25541896 0.85 SLC6A4 (0.49) SLC6A4ACACBTRPV1SIGMAR1EBP
SCHEMBL25541881 0.85 SLC6A4 (0.49) SLC6A4ACACBTRPV1SIGMAR1EBP
SCHEMBL25541899 0.82 SLC6A4 (0.55) SLC6A4ACACBTRPV1SIGMAR1EBP
SCHEMBL25541894 0.82 SLC6A4 (0.55) SLC6A4ACACBTRPV1SIGMAR1EBP
SCHEMBL25531100 0.81 SLC6A4 (0.54) SLC6A4ACACBTRPV1SIGMAR1EBP
SCHEMBL25541866 0.80 SLC6A4 (0.52) SLC6A4ACACBTRPV1SIGMAR1EBP
SCHEMBL25531107 0.76 SIGMAR1 (0.50) SLC6A4ACACBTRPV1SIGMAR1EBP
SCHEMBL25531103 0.76 SIGMAR1 (0.50) SLC6A4ACACBTRPV1SIGMAR1EBP
SCHEMBL23986713 0.70 TAAR1 (0.59) SLC6A4ACACBSIGMAR1TP53TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159491-A1 Antimicrobial Compounds and Methods NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-05-25 — — 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 (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-20230159491-A1 Antimicrobial Compounds and Methods MPO, NISCH, RPN2 SLC6A4 3119/4885ACACB 2485/4885TRPV1 848/4885

“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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