SCHEMBL25531105

SCHEMBL25531105

CCN(C[C@H]1C[C@H](C)C1)C(C)Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 4/20 0.40
▸ EBP Q15125 1/20 0.40
▸ TP53 P04637 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CYP2D6 P10635 1/20 0.36
▸ ACACB O00763 4/20 0.34
▸ KCNH2 Q12809 2/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ TRPV1 Q8NER1 2/20 0.32
▸ COPS5 Q92905 1/20 0.32
▸ KDM1A O60341 1/20 0.31
▸ DPP4 P27487 1/20 0.31
▸ FAP Q12884 1/20 0.31
▸ DPP8 Q6V1X1 1/20 0.31
▸ DPP9 Q86TI2 1/20 0.31
▸ DPP7 Q9UHL4 1/20 0.31
▸ ADRA2A P08913 1/20 0.31
▸ ADRA2B P18089 1/20 0.31

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
SCHEMBL25531110 1.00 SIGMAR1 (0.40) SIGMAR1EBPTP53TSHRCYP2D6
SCHEMBL25541880 0.88 TP53 (0.38) SIGMAR1EBPTP53TSHRCYP2D6
SCHEMBL25541876 0.88 TP53 (0.38) SIGMAR1EBPTP53TSHRCYP2D6
SCHEMBL25531121 0.85 CYP2D6 (0.41) SIGMAR1EBPTP53TSHRCYP2D6
SCHEMBL25541888 0.84 KCNH2 (0.41) SIGMAR1EBPTP53TSHRCYP2D6
SCHEMBL25531108 0.84 SIGMAR1 (0.41) SIGMAR1EBPTP53TSHRCYP2D6
SCHEMBL25531104 0.84 SIGMAR1 (0.41) SIGMAR1EBPTP53TSHRCYP2D6
SCHEMBL25530541 0.76 TP53 (0.46) SIGMAR1EBPTP53TSHRACACB
SCHEMBL25531052 0.75 HRH3 (0.40) SIGMAR1CYP2D6KCNH2KDM1AADRA2A
SCHEMBL22254875 0.73 CYP2D6 (0.37) CYP2D6

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 1039/4885TP53 4099/4885

“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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