SCHEMBL10243654

SCHEMBL10243654

Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](c2ccc(F)cc2)C3)c(O)n1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 6/20 0.40
HCRTR1 O43613 5/20 0.40
SLC18A3 Q16572 2/20 0.40
SIGMAR1 Q99720 2/20 0.40
HRH3 Q9Y5N1 1/20 0.38
SPR P35270 1/20 0.38
DRD2 P14416 3/20 0.38
DRD4 P21917 3/20 0.38
HTR1A P08908 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HRH1 P35367 1/20 0.37
SLC6A3 Q01959 4/20 0.36
SLC6A2 P23975 3/20 0.36
SLC6A4 P31645 2/20 0.36

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
SCHEMBL17350847 1.00 HCRTR2 (0.40) HCRTR2HCRTR1SLC18A3SIGMAR1HRH3
SCHEMBL10243778 0.79 SLC18A3 (0.44) HCRTR2HCRTR1SLC18A3SIGMAR1HRH3
SCHEMBL17350871 0.79 SLC18A3 (0.44) HCRTR2HCRTR1SLC18A3SIGMAR1HRH3
SCHEMBL17350960 0.78 HSD11B1 (0.50) SLC18A3SIGMAR1HRH3SPRDRD2
SCHEMBL10243863 0.78 HSD11B1 (0.50) SLC18A3SIGMAR1HRH3SPRDRD2
SCHEMBL17350818 0.77 SLC18A3 (0.49) HCRTR2HCRTR1SLC18A3SIGMAR1HRH3
SCHEMBL10244093 0.77 SLC18A3 (0.49) HCRTR2HCRTR1SLC18A3SIGMAR1HRH3
SCHEMBL10243883 0.76 POLB (0.57) SLC18A3SIGMAR1HRH3DRD2DRD4
SCHEMBL17350984 0.76 POLB (0.57) SLC18A3SIGMAR1HRH3DRD2DRD4
SCHEMBL10243880 0.75 POLB (0.51) SLC18A3SIGMAR1HRH3DRD2DRD4

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 HCRTR2 932/4885HCRTR1 1235/4885SLC18A3 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.