SCHEMBL25530556

SCHEMBL25530556

CCCN(Cc1ccc(C(C)(C)C)cc1)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 2/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.41
▸ RORC P51449 1/20 0.40
▸ ACHE P22303 5/20 0.39
▸ BCHE P06276 4/20 0.39
▸ LMNA P02545 3/20 0.39
▸ ADRA2A P08913 2/20 0.39
▸ NR1I2 O75469 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.39
▸ TSHR P16473 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ ADRA2B P18089 1/20 0.36
▸ ADRA2C P18825 1/20 0.36
▸ ADRA1D P25100 1/20 0.36
▸ HTR1D P28221 1/20 0.36
▸ HTR1B P28222 1/20 0.36

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
SCHEMBL13966087 0.85 KCNH2 (0.42) KCNH2HRH3ACHEBCHELMNA
SCHEMBL25530550 0.84 KCNH2 (0.42) KCNH2ACHEBCHELMNAADRA2A
SCHEMBL25530549 0.84 KCNH2 (0.42) KCNH2ACHELMNAADRA2ANR1I2
SCHEMBL13539088 0.81 TSHR (0.45) HRH3RORCBCHELMNASIGMAR1
SCHEMBL25530567 0.76 TSHR (0.42) KCNH2ACHEBCHELMNAADRA2A
SCHEMBL25530539 0.74 KCNH2 (0.51) KCNH2LMNAADRA2ASIGMAR1TSHR
SCHEMBL13941980 0.74 KCNH2 (0.46) KCNH2ACHEBCHELMNAADRA2A
SCHEMBL25530557 0.74 HDAC8 (0.40) KCNH2ACHELMNAADRA2ANR1I2
SCHEMBL22912456 0.73 BCHE (0.54) BCHESLC6A2HTR2ASLC6A4SIGMAR1
SCHEMBL338386 0.73 BCHE (0.52) KCNH2ACHEBCHELMNATSHR

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 2 patents. 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
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 KCNH2 1953/4885HRH3 2165/4885RORC 3709/4885

“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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