SCHEMBL25530538

SCHEMBL25530538

CN(CCc1ccc(C(C)(C)C)cc1)C(C)(C)C

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.59
▸ ESRRG P62508 3/20 0.50
▸ LMNA P02545 1/20 0.47
▸ HRH3 Q9Y5N1 2/20 0.43
▸ SIGMAR1 Q99720 3/20 0.41
▸ GRIA4 P48058 1/20 0.40
▸ NR1H4 Q96RI1 1/20 0.40
▸ TAAR1 Q96RJ0 2/20 0.39
▸ SLC13A5 Q86YT5 2/20 0.39
▸ DAO P14920 1/20 0.39
▸ ESRRB O95718 1/20 0.38
▸ TSHR P16473 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ CHIT1 Q13231 1/20 0.38
▸ CHIA Q9BZP6 1/20 0.38

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
SCHEMBL797701 0.83 KCNH2 (0.75) KCNH2ESRRGLMNAHRH3SIGMAR1
Bromide SCHEMBL13275917 0.82 KCNH2 (0.72) KCNH2ESRRGLMNAHRH3SIGMAR1
SCHEMBL10186973 0.79 TAAR1 (0.61) KCNH2SIGMAR1TAAR1
SCHEMBL15706263 0.79 KCNH2 (0.48) KCNH2LMNASIGMAR1NR1H4TSHR
SCHEMBL12891007 0.78 KCNH2 (0.58) KCNH2ESRRGLMNAHRH3SIGMAR1
SCHEMBL25479321 0.78 HRH3 (0.42) HRH3SIGMAR1TAAR1
SCHEMBL7456580 0.78 KCNH2 (0.59) KCNH2ESRRGLMNASIGMAR1GRIA4
SCHEMBL25532733 0.77 KCNH2 (0.56) KCNH2ESRRGLMNAHRH3SIGMAR1
SCHEMBL25530539 0.77 KCNH2 (0.51) KCNH2ESRRGLMNASIGMAR1GRIA4
SCHEMBL25541354 0.77 KCNH2 (0.56) KCNH2ESRRGLMNAHRH3SIGMAR1

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-20230167150-A1 CD33 LIGANDS SUITABLE FOR INCORPORATION INTO CARRIERS GLYCOMIMETICS, INC. (US) 2023-06-01 — — 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 (2 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-20230167150-A1 CD33 LIGANDS SUITABLE FOR INCORPORATION INTO CARRIERS SIGLEC7, SIGLEC9, CD47 KCNH2 4131/4885ESRRG 740/4885LMNA 2168/4885
US-20230159491-A1 Antimicrobial Compounds and Methods MPO, NISCH, RPN2 KCNH2 1953/4885ESRRG 3236/4885LMNA 3813/4885

“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.

Send feedback