SCHEMBL4859604

SCHEMBL4859604

CCCCN1C2CCC1CC(NC(=O)OC(C)(C)C)C2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ALDH1A1 P00352 1/20 0.49
BTK Q06187 1/20 0.46
CTSK P43235 2/20 0.43
CHRM1 P11229 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
HPGD P15428 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HTR4 Q13639 2/20 0.40
TSHR P16473 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CYP2C9 P11712 1/20 0.39
HSD11B1 P28845 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
DRD2 P14416 1/20 0.38
KCNA3 P22001 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
SCHEMBL21739053 0.85 KMT2A (0.57) KMT2AL3MBTL1ALDH1A1BTKCTSK
SCHEMBL29676122 0.85 KMT2A (0.57) KMT2AL3MBTL1ALDH1A1BTKCTSK
SCHEMBL24455953 0.84 KMT2A (0.49) KMT2AL3MBTL1ALDH1A1BTKCTSK
SCHEMBL29653207 0.81 KMT2A (0.51) KMT2AL3MBTL1ALDH1A1BTKCTSK
SCHEMBL24456341 0.81 ALDH1A1 (0.56) KMT2AL3MBTL1ALDH1A1BTKCTSK
SCHEMBL1116704 0.81 BTK (0.54) KMT2AL3MBTL1BTKCTSKCHRM1
SCHEMBL29676411 0.81 BTK (0.54) KMT2AL3MBTL1BTKCTSKCHRM1
SCHEMBL962474 0.81 BTK (0.54) KMT2AL3MBTL1BTKCTSKCHRM1
SCHEMBL9389318 0.80 KMT2A (0.54) KMT2AL3MBTL1ALDH1A1BTKCTSK
SCHEMBL24456318 0.80 KMT2A (0.50) KMT2AL3MBTL1ALDH1A1BTKCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7456192-B2 3β-amino azabicyclooctane heteroaromatic amid derivatives preparation method and therapeutic uses thereof PIERRE FABRE MEDICAMENT (FR) 2008-11-25 US disclosed
EP-1440075-B1 NOVEL 3BETA-AMINO AZABICYCLOOCTANE HETEROAROMATIC AMIDE DERIVATIVES, PREPARATION METHOD AND THERAPEUTIC USES THEREOF PF MEDICAMENT (FR) 2005-06-08 EP disclosed
US-20050080085-A1 Novel 3beta-amino azabicyclooctane heteroaromatic amid derivatives preparation method and therapeutic uses thereof PIERRE FABRE MEDICAMENT (FR) 2005-04-14 US disclosed
EP-1440075-A1 NOVEL 3BETA-AMINO AZABICYCLOOCTANE HETEROAROMATIC AMIDE DERIVATIVES, PREPARATION METHOD AND THERAPEUTIC USES THEREOF PIERRE FABRE MEDICAMENT (FR) 2004-07-28 EP disclosed
WO-2003037904-A1 NOVEL 3BETA-AMINO AZABICYCLOOCTANE HETEROAROMATIC AMIDE DERIVATIVES, PREPARATION METHOD AND THERAPEUTIC USES THEREOF PIERRE FABRE MEDICAMENT (FR) 2003-05-08 WO 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-20050080085-A1 Novel 3beta-amino azabicyclooctane heteroaromatic amid derivatives preparation method and therapeutic uses thereof AOC3, MAOB, AOC1 KMT2A 2929/4885L3MBTL1 2042/4885ALDH1A1 1130/4885

“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.