SCHEMBL10243751

SCHEMBL10243751

COc1ccccc1C(=O)N1[C@@H]2CC[C@H]1C[C@@H](c1ccc(F)cc1)C2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.52
LMNA P02545 1/20 0.52
HSD11B1 P28845 1/20 0.52
MGLL Q99685 1/20 0.50
SLC18A3 Q16572 2/20 0.46
SIGMAR1 Q99720 2/20 0.46
CCR5 P51681 1/20 0.45
HTT P42858 1/20 0.45
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.45
HCRTR1 O43613 1/20 0.44
HCRTR2 O43614 1/20 0.44
GAA P10253 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
FFAR2 O15552 2/20 0.43
KDM4E B2RXH2 2/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTR1A P08908 1/20 0.43
DRD2 P14416 1/20 0.43

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
SCHEMBL17350865 1.00 KMT2A (0.52) KMT2ALMNAHSD11B1MGLLSLC18A3
SCHEMBL17350520 0.90 HSD11B1 (0.54) KMT2ALMNAHSD11B1MGLLHTT
SCHEMBL10243967 0.90 HSD11B1 (0.54) KMT2ALMNAHSD11B1MGLLHTT
SCHEMBL10243773 0.86 HSD11B1 (0.55) LMNAHSD11B1HTTHCRTR1HCRTR2
SCHEMBL17350994 0.86 HSD11B1 (0.55) LMNAHSD11B1HTTHCRTR1HCRTR2
SCHEMBL10244093 0.86 SLC18A3 (0.49) KMT2ALMNASLC18A3SIGMAR1MEN1
SCHEMBL17350818 0.86 SLC18A3 (0.49) KMT2ALMNASLC18A3SIGMAR1MEN1
SCHEMBL10243863 0.85 HSD11B1 (0.50) KMT2AHSD11B1MGLLSLC18A3SIGMAR1
SCHEMBL17350960 0.85 HSD11B1 (0.50) KMT2AHSD11B1MGLLSLC18A3SIGMAR1
SCHEMBL10243703 0.85 MEN1 (0.50) KMT2ALMNAHSD11B1SLC18A3SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120115853-A1 Aryl- and Heteroarylcarbonyl derivatives of substituted nortropanes, medicaments containing such compounds and their use BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-10 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 (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-20120115853-A1 Aryl- and Heteroarylcarbonyl derivatives of substituted nortropanes, medicaments containing such compounds and their use HSD11B1, HSD11B2, HSD17B1 KMT2A 2551/4885LMNA 2595/4885HSD11B1 1/4885

“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.