SCHEMBL10243662

SCHEMBL10243662

CC(C)(C)Oc1cccc(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](c2ccc(F)cc2)C3)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.47
PARP14 Q460N5 1/20 0.46
PARP10 Q53GL7 1/20 0.46
SLC18A3 Q16572 2/20 0.42
SIGMAR1 Q99720 2/20 0.42
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
KDM1A O60341 1/20 0.40
DRD2 P14416 2/20 0.39
DRD4 P21917 2/20 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
MGLL Q99685 3/20 0.39
FAAH O00519 1/20 0.38
GAA P10253 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL17350615 1.00 HSD11B1 (0.47) HSD11B1PARP14PARP10SLC18A3SIGMAR1
SCHEMBL17350931 0.88 HSD11B1 (0.56) HSD11B1PARP14PARP10SLC18A3SIGMAR1
SCHEMBL10243897 0.88 HSD11B1 (0.56) HSD11B1PARP14PARP10SLC18A3SIGMAR1
SCHEMBL17350643 0.87 POLB (0.45) HSD11B1PARP14PARP10SLC18A3SIGMAR1
SCHEMBL10243735 0.87 POLB (0.45) HSD11B1PARP14PARP10SLC18A3SIGMAR1
SCHEMBL17350581 0.83 HSD11B1 (0.50) HSD11B1PARP14PARP10SLC18A3SIGMAR1
SCHEMBL10244021 0.83 HSD11B1 (0.50) HSD11B1PARP14PARP10SLC18A3SIGMAR1
SCHEMBL17350616 0.82 SLC18A3 (0.46) HSD11B1PARP14PARP10SLC18A3SIGMAR1
SCHEMBL10244083 0.82 SLC18A3 (0.46) HSD11B1PARP14PARP10SLC18A3SIGMAR1
SCHEMBL10243864 0.82 HSD11B1 (0.53) HSD11B1SLC18A3SIGMAR1ALDH1A1KDM1A

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 1/4885PARP14 2074/4885PARP10 1653/4885

“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.