SCHEMBL25531100

SCHEMBL25531100

CCC1CCC(NC(C)Cc2ccc(C(C)(C)C)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 2/20 0.54
▸ ACACB O00763 5/20 0.45
▸ TSHR P16473 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ SIGMAR1 Q99720 2/20 0.39
▸ EBP Q15125 1/20 0.39
▸ TRPV1 Q8NER1 2/20 0.37
▸ EPHX2 P34913 1/20 0.36
▸ GRIA4 P48058 1/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33

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
SCHEMBL25541866 0.88 SLC6A4 (0.52) SLC6A4ACACBTSHRTP53SIGMAR1
SCHEMBL25541899 0.85 SLC6A4 (0.55) SLC6A4ACACBTSHRTP53SIGMAR1
SCHEMBL25541894 0.84 SLC6A4 (0.55) SLC6A4ACACBTSHRTP53SIGMAR1
SCHEMBL25531111 0.81 SLC6A4 (0.50) SLC6A4ACACBTSHRTP53SIGMAR1
SCHEMBL25531150 0.80 SLC6A4 (0.49) SLC6A4ACACBTSHRTP53SIGMAR1
SCHEMBL25541896 0.80 SLC6A4 (0.49) SLC6A4ACACBTSHRTP53SIGMAR1
SCHEMBL25541881 0.80 SLC6A4 (0.49) SLC6A4ACACBTSHRTP53SIGMAR1
SCHEMBL25531101 0.74 TP53 (0.40) SLC6A4ACACBTSHRTP53SIGMAR1
SCHEMBL29022785 0.72 SLC6A4 (0.66) SLC6A4ACACBSIGMAR1
SCHEMBL11496257 0.71 SIGMAR1 (0.59) SLC6A4ACACBTSHRTP53SIGMAR1

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 2485/4885TSHR 4733/4885

“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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