SCHEMBL10244220

SCHEMBL10244220

COC(=O)c1cccc(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](c2ccc(F)cc2)C3)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 2/20 0.46
RBP4 P02753 1/20 0.45
SLC18A3 Q16572 2/20 0.44
SIGMAR1 Q99720 2/20 0.44
HRH3 Q9Y5N1 1/20 0.44
KDM4E B2RXH2 2/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
ATM Q13315 1/20 0.42
HSD17B10 Q99714 1/20 0.42
EPHX2 P34913 2/20 0.41
PARP14 Q460N5 1/20 0.41
PARP10 Q53GL7 1/20 0.41
DRD2 P14416 2/20 0.41

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
SCHEMBL17350574 1.00 MEN1 (0.46) MEN1ALDH1A1KMT2ARBP4SLC18A3
SCHEMBL17350829 0.88 ATM (0.51) MEN1ALDH1A1KMT2ASLC18A3SIGMAR1
SCHEMBL10243909 0.88 ATM (0.51) MEN1ALDH1A1KMT2ASLC18A3SIGMAR1
SCHEMBL10244083 0.87 SLC18A3 (0.46) MEN1KMT2ASLC18A3SIGMAR1HRH3
SCHEMBL17350616 0.87 SLC18A3 (0.46) MEN1KMT2ASLC18A3SIGMAR1HRH3
SCHEMBL10243897 0.86 HSD11B1 (0.56) ALDH1A1SLC18A3SIGMAR1KDM4ELMNA
SCHEMBL17350950 0.86 L3MBTL3 (0.48) MEN1KMT2ASLC18A3SIGMAR1HRH3
SCHEMBL17350931 0.86 HSD11B1 (0.56) ALDH1A1SLC18A3SIGMAR1KDM4ELMNA
SCHEMBL10243657 0.86 L3MBTL3 (0.48) MEN1KMT2ASLC18A3SIGMAR1HRH3
SCHEMBL17350581 0.86 HSD11B1 (0.50) MEN1ALDH1A1KMT2ASLC18A3SIGMAR1

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 MEN1 3884/4885ALDH1A1 141/4885KMT2A 2551/4885

“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.