SCHEMBL10243657

SCHEMBL10243657

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
SLC18A3 Q16572 2/20 0.44
SIGMAR1 Q99720 2/20 0.44
HRH3 Q9Y5N1 2/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
KDM1A O60341 2/20 0.41
MAOB P27338 1/20 0.41
HTR2B P41595 1/20 0.41
DRD2 P14416 3/20 0.41
DRD4 P21917 3/20 0.41
HTR1A P08908 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HRH1 P35367 1/20 0.41
SCN9A Q15858 1/20 0.41
HTR7 P34969 1/20 0.40

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
SCHEMBL17350950 1.00 L3MBTL3 (0.48) L3MBTL3L3MBTL1SLC18A3SIGMAR1HRH3
SCHEMBL17351177 0.88 HRH3 (0.52) SLC18A3SIGMAR1HRH3MEN1KMT2A
SCHEMBL10244283 0.88 HRH3 (0.52) SLC18A3SIGMAR1HRH3MEN1KMT2A
SCHEMBL10244083 0.87 SLC18A3 (0.46) SLC18A3SIGMAR1HRH3MEN1KMT2A
SCHEMBL17350616 0.87 SLC18A3 (0.46) SLC18A3SIGMAR1HRH3MEN1KMT2A
SCHEMBL17350574 0.86 MEN1 (0.46) SLC18A3SIGMAR1HRH3MEN1KMT2A
SCHEMBL10244220 0.86 MEN1 (0.46) SLC18A3SIGMAR1HRH3MEN1KMT2A
SCHEMBL17351181 0.86 SLC18A3 (0.44) SLC18A3SIGMAR1HRH3MEN1KMT2A
SCHEMBL10243798 0.86 SLC18A3 (0.44) SLC18A3SIGMAR1HRH3MEN1KMT2A
SCHEMBL17350581 0.86 HSD11B1 (0.50) SLC18A3SIGMAR1MEN1KMT2AKDM1A

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 L3MBTL3 4198/4885L3MBTL1 3275/4885SLC18A3 3630/4885

“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.