SCHEMBL9104362

SCHEMBL9104362

COc1cc(C(=O)N(C)C(CN2CCC(OC)CC2)C(C)C)ccc1C

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ HSD11B1 P28845 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ TAS1R3 Q7RTX0 1/20 0.37
▸ TAS1R1 Q7RTX1 1/20 0.37
▸ CFB P00751 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
SCHEMBL31478904 1.00 KMT2A (0.43) KMT2AMEN1POLBHSD11B1ALDH1A1
SCHEMBL9104352 1.00 KMT2A (0.43) KMT2AMEN1POLBHSD11B1ALDH1A1
SCHEMBL9105476 0.91 ALDH1A1 (0.37) ALDH1A1TAS1R3TAS1R1
SCHEMBL9105466 0.91 ALDH1A1 (0.37) ALDH1A1TAS1R3TAS1R1
SCHEMBL9105132 0.86 DRD4 (0.39) KMT2AMEN1
SCHEMBL9105136 0.86 DRD4 (0.39) KMT2AMEN1
SCHEMBL9103858 0.84 MAPT (0.43) —
SCHEMBL9103848 0.84 MAPT (0.43) —
SCHEMBL9103836 0.82 KDM4E (0.40) KMT2AMEN1ALDH1A1
SCHEMBL9104403 0.82 CYP2D6 (0.42) CYP2D6

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 KMT2A 552/4885MEN1 482/4885POLB 4552/4885
US-20120142659-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS KCNH2, KCNJ2, KCNH3 KMT2A 552/4885MEN1 482/4885POLB 4552/4885

“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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