SCHEMBL25530567

SCHEMBL25530567

CC(C)CN(Cc1ccc(C(C)(C)C)cc1)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ KCNH2 Q12809 2/20 0.39
▸ SLC6A2 P23975 2/20 0.38
▸ SLC6A4 P31645 2/20 0.38
▸ ADRA2A P08913 2/20 0.38
▸ ADRA2B P18089 1/20 0.38
▸ ADRA2C P18825 1/20 0.38
▸ ADRA1D P25100 1/20 0.38
▸ HTR1D P28221 1/20 0.38
▸ HTR1B P28222 1/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ ADRA1B P35368 1/20 0.38
▸ ACHE P22303 2/20 0.38
▸ NR1I2 O75469 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ SIGMAR1 Q99720 1/20 0.38
▸ GRIA4 P48058 1/20 0.37

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
SCHEMBL17886005 0.81 AOC3 (0.44) TSHRKCNH2SLC6A2SLC6A4ADRA2B
SCHEMBL8902822 0.81 KCNH2 (0.44) TSHRTP53KCNH2SLC6A2SLC6A4
SCHEMBL13966087 0.79 KCNH2 (0.42) TSHRTP53KCNH2SLC6A2SLC6A4
SCHEMBL25530556 0.76 KCNH2 (0.43) TSHRTP53KCNH2SLC6A2SLC6A4
SCHEMBL18463674 0.76 GAA (0.36) TSHRLMNA
SCHEMBL25530561 0.76 TSHR (0.46) TSHRTP53KCNH2SLC6A2SLC6A4
SCHEMBL25530550 0.75 KCNH2 (0.42) TSHRTP53KCNH2SLC6A2SLC6A4
SCHEMBL25530549 0.75 KCNH2 (0.42) TP53KCNH2SLC6A2SLC6A4ADRA2A
SCHEMBL13941980 0.72 KCNH2 (0.46) TSHRTP53KCNH2SLC6A2SLC6A4
SCHEMBL25530557 0.72 HDAC8 (0.40) KCNH2SLC6A2SLC6A4ADRA2AADRA2B

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 TSHR 4733/4885TP53 4099/4885KCNH2 1953/4885

“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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