SCHEMBL10243665

SCHEMBL10243665

Cc1cc2cc(C(=O)N3[C@@H]4CC[C@H]3C[C@@H](c3ccc(F)cc3)C4)ccc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.42
SLC18A3 Q16572 2/20 0.42
SIGMAR1 Q99720 2/20 0.42
OXTR P30559 1/20 0.42
POLB P06746 2/20 0.40
HRH3 Q9Y5N1 1/20 0.40
KDM1A O60341 1/20 0.40
DRD2 P14416 3/20 0.39
DRD4 P21917 3/20 0.39
HTR1A P08908 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HRH1 P35367 1/20 0.39
MAOA P21397 3/20 0.37
MAOB P27338 3/20 0.37
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
CPS1 P31327 1/20 0.36
MGLL Q99685 1/20 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
SCHEMBL17350637 1.00 HSD11B1 (0.42) HSD11B1SLC18A3SIGMAR1OXTRPOLB
SCHEMBL10243905 0.83 NPC1 (0.48) HSD11B1SLC18A3SIGMAR1OXTRPOLB
SCHEMBL17350595 0.83 NPC1 (0.48) HSD11B1SLC18A3SIGMAR1OXTRPOLB
SCHEMBL17350727 0.82 POLB (0.56) SLC18A3SIGMAR1POLBHRH3CCNC
SCHEMBL10243835 0.82 POLB (0.56) SLC18A3SIGMAR1POLBHRH3CCNC
SCHEMBL10243810 0.81 HSP90AA1 (0.47) HSD11B1SLC18A3SIGMAR1POLBHRH3
SCHEMBL17350840 0.81 HSP90AA1 (0.47) HSD11B1SLC18A3SIGMAR1POLBHRH3
SCHEMBL2682867 0.81 CTNNB1 (0.52) HSD11B1SLC18A3SIGMAR1POLBKDM1A
SCHEMBL10243988 0.81 CTNNB1 (0.52) HSD11B1SLC18A3SIGMAR1POLBKDM1A
SCHEMBL17351011 0.81 SLC18A3 (0.47) SLC18A3SIGMAR1POLBHRH3KDM1A

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.