SCHEMBL25541887

SCHEMBL25541887

CC(Cc1ccc(C(C)(C)C)cc1)N(C)CC1CNC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ SIGMAR1 Q99720 4/20 0.39
▸ EBP Q15125 1/20 0.39
▸ KCNH2 Q12809 3/20 0.38
▸ SLC6A2 P23975 2/20 0.38
▸ SLC6A4 P31645 2/20 0.38
▸ SLC6A3 Q01959 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ ADRA2B P18089 3/20 0.36
▸ ADRA2C P18825 3/20 0.36
▸ ADRA1A P35348 3/20 0.36
▸ OPRK1 P41145 2/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ ACACB O00763 3/20 0.35
▸ MAOB P27338 3/20 0.35

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
SCHEMBL25531120 0.84 TP53 (0.42) TP53TSHRSIGMAR1EBPKCNH2
SCHEMBL25541888 0.84 KCNH2 (0.41) TP53TSHRSIGMAR1EBPKCNH2
SCHEMBL25531104 0.83 SIGMAR1 (0.41) TP53TSHRSIGMAR1EBPKCNH2
SCHEMBL25531108 0.83 SIGMAR1 (0.41) TP53TSHRSIGMAR1EBPKCNH2
SCHEMBL22254883 0.83 SLC6A4 (0.42) TSHRSIGMAR1KCNH2SLC6A2SLC6A4
SCHEMBL25541874 0.82 TP53 (0.40) TP53TSHRSIGMAR1EBPKCNH2
SCHEMBL25530545 0.74 TSHR (0.49) TP53TSHRSIGMAR1EBPKCNH2
SCHEMBL25541885 0.73 SIGMAR1 (0.50) TP53TSHRSIGMAR1EBPKCNH2
SCHEMBL25541751 0.71 HRH3 (0.40) SIGMAR1KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL25530548 0.71 TP53 (0.51) TP53TSHRSIGMAR1EBPKCNH2

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 TP53 4099/4885TSHR 4733/4885SIGMAR1 1380/4885

“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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