SCHEMBL10243928

SCHEMBL10243928

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

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.53
DRD2 P14416 3/20 0.48
DRD4 P21917 3/20 0.48
GRM5 P41594 4/20 0.47
SLC18A3 Q16572 2/20 0.46
SIGMAR1 Q99720 2/20 0.46
HTR1A P08908 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HRH1 P35367 1/20 0.43
IDO1 P14902 1/20 0.43
CCR5 P51681 1/20 0.43
MGLL Q99685 1/20 0.43
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL17350750 1.00 HSD11B1 (0.53) HSD11B1DRD2DRD4GRM5SLC18A3
SCHEMBL17350581 0.89 HSD11B1 (0.50) HSD11B1DRD2DRD4SLC18A3SIGMAR1
SCHEMBL10244021 0.89 HSD11B1 (0.50) HSD11B1DRD2DRD4SLC18A3SIGMAR1
SCHEMBL10243820 0.86 MGLL (0.48) DRD2DRD4SLC18A3SIGMAR1HTR1A
SCHEMBL17350639 0.86 MGLL (0.48) DRD2DRD4SLC18A3SIGMAR1HTR1A
SCHEMBL10244083 0.85 SLC18A3 (0.46) HSD11B1DRD2DRD4SLC18A3SIGMAR1
SCHEMBL17350839 0.85 OPRM1 (0.53) DRD2DRD4SLC18A3SIGMAR1HTR1A
SCHEMBL17350616 0.85 SLC18A3 (0.46) HSD11B1DRD2DRD4SLC18A3SIGMAR1
SCHEMBL10244342 0.85 OPRM1 (0.53) DRD2DRD4SLC18A3SIGMAR1HTR1A
SCHEMBL10243864 0.85 HSD11B1 (0.53) HSD11B1DRD2DRD4SLC18A3SIGMAR1

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 1/4885DRD2 772/4885DRD4 986/4885

“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.