SCHEMBL10243967

SCHEMBL10243967

COc1cccc(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](c2ccc(F)cc2)C3)c1OC

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.54
GAA P10253 3/20 0.53
NPSR1 Q6W5P4 1/20 0.53
DRD3 P35462 2/20 0.48
HCRTR2 O43614 3/20 0.47
MGLL Q99685 1/20 0.47
HTR2A P28223 1/20 0.47
GRM2 Q14416 1/20 0.47
MAPT P10636 1/20 0.46
ALDH1A1 P00352 4/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44
POLB P06746 1/20 0.44
HTT P42858 1/20 0.44
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL17350520 1.00 HSD11B1 (0.54) HSD11B1GAANPSR1DRD3HCRTR2
SCHEMBL10243751 0.90 KMT2A (0.52) HSD11B1GAANPSR1HCRTR2MGLL
SCHEMBL17350865 0.90 KMT2A (0.52) HSD11B1GAANPSR1HCRTR2MGLL
SCHEMBL10243919 0.83 PKM (0.48) GAAALDH1A1L3MBTL1KMT2AHTT
SCHEMBL17350675 0.83 PKM (0.48) GAAALDH1A1L3MBTL1KMT2AHTT
SCHEMBL17350994 0.81 HSD11B1 (0.55) HSD11B1GAAHCRTR2ALDH1A1HTT
SCHEMBL10243773 0.81 HSD11B1 (0.55) HSD11B1GAAHCRTR2ALDH1A1HTT
SCHEMBL10244093 0.81 SLC18A3 (0.49) HCRTR2HTR2AALDH1A1KMT2APOLB
SCHEMBL17350818 0.81 SLC18A3 (0.49) HCRTR2HTR2AALDH1A1KMT2APOLB
SCHEMBL17350960 0.80 HSD11B1 (0.50) HSD11B1MGLLHTR2AMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2318403-B1 Aryl- and heteroarylcarbonyl derivatives of substituted nortropanes, medicaments containing such compounds and their use BOEHRINGER INGELHEIM INT (DE) 2015-12-23 EP disclosed
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 HSD11B1 1/4885GAA 296/4885NPSR1 684/4885

“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.