SCHEMBL1979180

SCHEMBL1979180

CC(C)(C)OC(=O)NCC1(CO)CCN(C(=O)O)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
HCRTR2 O43614 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
NPFFR1 Q9GZQ6 1/20 0.36
NPFFR2 Q9Y5X5 1/20 0.36
DRD2 P14416 5/20 0.36
GAA P10253 1/20 0.36
SIGMAR1 Q99720 2/20 0.35
CACNA1H O95180 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
NAMPT P43490 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
CTSD P07339 1/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33

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
SCHEMBL1978460 0.89 USP2 (0.42) MEN1KMT2AALDH1A1TSHRHCRTR2
SCHEMBL510027 0.85 TDP1 (0.46) MEN1KMT2AALDH1A1TSHRHCRTR2
SCHEMBL12598988 0.82 TDP1 (0.44) MEN1KMT2AALDH1A1TSHRHCRTR2
SCHEMBL7611276 0.82 TDP1 (0.44) MEN1KMT2AALDH1A1TSHRHCRTR2
SCHEMBL31387655 0.82 MEN1 (0.42) MEN1KMT2AALDH1A1TSHRHCRTR2
SCHEMBL21607436 0.81 TDP1 (0.42) MEN1KMT2AALDH1A1TSHRHCRTR2
SCHEMBL31387729 0.81 MEN1 (0.39) MEN1KMT2AALDH1A1TSHRHCRTR2
SCHEMBL30158378 0.78 TDP1 (0.41) MEN1KMT2AALDH1A1TSHRHCRTR2
SCHEMBL12598205 0.78 HCRTR2 (0.44) MEN1KMT2AALDH1A1TSHRHCRTR2
SCHEMBL23214666 0.78 USP2 (0.42) TSHRNAMPT

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-9150577-B2 Heterocyclic compounds containing an indole core BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-06 US disclosed
US-20130109679-A1 HETEROCYCLIC COMPOUNDS CONTAINING AN INDOLE CORE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-02 US disclosed
EP-2509980-A1 HETEROCYCLIC COMPOUNDS CONTAINING AN INDOLE CORE Boehringer Ingelheim International GmbH (DE) 2012-10-17 EP disclosed
WO-2011071716-A1 HETEROCYCLIC COMPOUNDS CONTAINING AN INDOLE CORE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-16 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-20130109679-A1 HETEROCYCLIC COMPOUNDS CONTAINING AN INDOLE CORE BRSK2, RPS6KA2, RPS6KB2 MEN1 3774/4885KMT2A 3498/4885ALDH1A1 3766/4885

“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.