SCHEMBL25531104

SCHEMBL25531104

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 5/20 0.41
▸ EBP Q15125 1/20 0.41
▸ TSHR P16473 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ KCNH2 Q12809 2/20 0.36
▸ ADRA2B P18089 2/20 0.36
▸ ADRA2C P18825 2/20 0.36
▸ ADRA1A P35348 2/20 0.36
▸ OPRK1 P41145 2/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ ACACB O00763 3/20 0.35
▸ MAOB P27338 5/20 0.35
▸ MAOA P21397 4/20 0.35
▸ CYP1A2 P05177 2/20 0.33
▸ ADRA2A P08913 1/20 0.33
▸ SNCA P37840 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
SCHEMBL25531108 1.00 SIGMAR1 (0.41) SIGMAR1EBPTSHRTP53KCNH2
SCHEMBL25541874 0.88 TP53 (0.40) SIGMAR1EBPTSHRTP53KCNH2
SCHEMBL25531120 0.84 TP53 (0.42) SIGMAR1EBPTSHRTP53KCNH2
SCHEMBL25531110 0.84 SIGMAR1 (0.40) SIGMAR1EBPTSHRTP53KCNH2
SCHEMBL25531105 0.84 SIGMAR1 (0.40) SIGMAR1EBPTSHRTP53KCNH2
SCHEMBL25541887 0.83 TP53 (0.41) SIGMAR1EBPTSHRTP53KCNH2
SCHEMBL25531051 0.77 SIGMAR1 (0.43) SIGMAR1KCNH2ADRA2BADRA2CADRA1A
SCHEMBL25530545 0.74 TSHR (0.49) SIGMAR1EBPTSHRTP53KCNH2
SCHEMBL25531089 0.74 SIGMAR1 (0.40) SIGMAR1EBPTSHRTP53KCNH2
SCHEMBL22255182 0.71 SLC6A4 (0.38) SIGMAR1TSHRKCNH2ADRA2BADRA2C

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 SIGMAR1 1380/4885EBP 1039/4885TSHR 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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