SCHEMBL9103884

SCHEMBL9103884

CN[C@H](CN1CCCC1)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CARM1 Q86X55 1/20 0.38
PRMT6 Q96LA8 1/20 0.38
PRMT8 Q9NR22 1/20 0.38
MAPT P10636 2/20 0.37
ATM Q13315 1/20 0.37
LTA4H P09960 1/20 0.33
CHRM2 P08172 2/20 0.32
ADRA2B P18089 2/20 0.32
DRD3 P35462 2/20 0.32
SIGMAR1 Q99720 2/20 0.32
HRH3 Q9Y5N1 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.32
ANPEP P15144 1/20 0.31
ERAP2 Q6P179 1/20 0.31
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31
NCF1 P14598 1/20 0.31

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
SCHEMBL9103896 1.00 MEN1 (0.39) MEN1KMT2ACARM1PRMT6PRMT8
Hydrochloric Acid SCHEMBL9105755 0.98 KMT2A (0.38) MEN1KMT2ACARM1PRMT6PRMT8
SCHEMBL13817508 0.98 MEN1 (0.43) MEN1KMT2ACARM1PRMT6PRMT8
Hydrochloric Acid SCHEMBL9105769 0.98 KMT2A (0.38) MEN1KMT2ACARM1PRMT6PRMT8
SCHEMBL9102728 0.95 MEN1 (0.34) MEN1KMT2ACARM1PRMT6PRMT8
SCHEMBL9102712 0.95 MEN1 (0.34) MEN1KMT2ACARM1PRMT6PRMT8
SCHEMBL14473037 0.83 GAA (0.37) MAPTSIGMAR1ALDH1A1
SCHEMBL9511303 0.82 MEN1 (0.39) MEN1KMT2ACARM1PRMT6PRMT8
SCHEMBL9511295 0.82 MEN1 (0.39) MEN1KMT2ACARM1PRMT6PRMT8
SCHEMBL13817495 0.82 MEN1 (0.36) MEN1KMT2AHRH3ALDH1A1LMNA

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 6 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
US-20120142659-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS ASTRAZENECA AB (SE) 2012-06-07 US disclosed
CN-1121072-A Acetamides MERCK PATENG GES MIT BESCHRANK (DE) 1996-04-24 CN disclosed
US-5472961-A Acetamides MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-12-05 US disclosed
EP-0670318-A2 Acetamides with analgesic and neuroprotective activity MERCK PATENT GmbH (DE) 1995-09-06 EP 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 MEN1 482/4885KMT2A 552/4885CARM1 2836/4885
US-20120142659-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS KCNH2, KCNJ2, KCNH3 MEN1 482/4885KMT2A 552/4885CARM1 2836/4885

“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.