SCHEMBL10244021

SCHEMBL10244021

O=C(c1cccc(F)c1)N1[C@@H]2CC[C@H]1C[C@@H](c1ccc(F)cc1)C2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.50
SLC18A3 Q16572 2/20 0.49
SIGMAR1 Q99720 2/20 0.49
PLA2G7 Q13093 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
DRD2 P14416 3/20 0.46
DRD4 P21917 3/20 0.46
HTR1A P08908 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HRH1 P35367 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
HTT P42858 1/20 0.44
POLB P06746 1/20 0.44
KDM1A O60341 1/20 0.43
PARP14 Q460N5 1/20 0.43
PARP10 Q53GL7 1/20 0.43
KDM4E B2RXH2 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
SCHEMBL17350581 1.00 HSD11B1 (0.50) HSD11B1SLC18A3SIGMAR1PLA2G7SMN1; SMN2
SCHEMBL10243820 0.90 MGLL (0.48) SLC18A3SIGMAR1DRD2DRD4HTR1A
SCHEMBL17350639 0.90 MGLL (0.48) SLC18A3SIGMAR1DRD2DRD4HTR1A
SCHEMBL17350814 0.89 HSD11B1 (0.53) HSD11B1SLC18A3SIGMAR1SMN1; SMN2DRD2
SCHEMBL17350750 0.89 HSD11B1 (0.53) HSD11B1SLC18A3SIGMAR1DRD2DRD4
SCHEMBL10243928 0.89 HSD11B1 (0.53) HSD11B1SLC18A3SIGMAR1DRD2DRD4
SCHEMBL10243864 0.89 HSD11B1 (0.53) HSD11B1SLC18A3SIGMAR1SMN1; SMN2DRD2
SCHEMBL10244083 0.89 SLC18A3 (0.46) HSD11B1SLC18A3SIGMAR1SMN1; SMN2DRD2
SCHEMBL10244342 0.89 OPRM1 (0.53) SLC18A3SIGMAR1DRD2DRD4HTR1A
SCHEMBL17350616 0.89 SLC18A3 (0.46) HSD11B1SLC18A3SIGMAR1SMN1; SMN2DRD2

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 1/4885SLC18A3 3630/4885SIGMAR1 277/4885

“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.