SCHEMBL9105476

SCHEMBL9105476

COC1CCN(CC(C(C)C)N(C)C(=O)c2ccc(C)c(C)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ CCR3 P51677 1/20 0.37
▸ KDM2B Q8NHM5 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ TAS1R3 Q7RTX0 1/20 0.36
▸ TAS1R1 Q7RTX1 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
SCHEMBL9105466 1.00 ALDH1A1 (0.37) ALDH1A1TP53HPGDCCR3KDM2B
SCHEMBL9104362 0.91 KMT2A (0.43) ALDH1A1TAS1R3TAS1R1
SCHEMBL31478904 0.91 KMT2A (0.43) ALDH1A1TAS1R3TAS1R1
SCHEMBL9104352 0.91 KMT2A (0.43) ALDH1A1TAS1R3TAS1R1
SCHEMBL9105136 0.91 DRD4 (0.39) —
SCHEMBL9105132 0.91 DRD4 (0.39) —
SCHEMBL9103858 0.86 MAPT (0.43) HPGD
SCHEMBL9103848 0.86 MAPT (0.43) HPGD
SCHEMBL9103826 0.85 KDM4E (0.40) ALDH1A1HRH3
SCHEMBL9103836 0.85 KDM4E (0.40) ALDH1A1HRH3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130143858-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS ASTRAZENECA AB (SE) 2013-06-06 — — US disclosed
US-8361998-B2 Compounds and their use as IKACh blockers ASTRAZENECA AB 2013-01-29 — — US disclosed
WO-2012074469-A1 NEW IKACH BLOCKERS ASTRAZENECA AB (SE) 2012-06-07 — — WO disclosed
US-20120142659-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS ASTRAZENECA AB (SE) 2012-06-07 — — 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-20130143858-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS KCNH2, KCNJ2, KCNH3 ALDH1A1 2203/4885TP53 3570/4885HPGD 3343/4885
US-20120142659-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS KCNH2, KCNJ2, KCNH3 ALDH1A1 2203/4885TP53 3570/4885HPGD 3343/4885

“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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