SCHEMBL10243938

SCHEMBL10243938

COc1cc(OC)cc(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](c2ccc(F)cc2)C3)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
LMNA P02545 3/20 0.48
HTT P42858 2/20 0.48
TSHR P16473 1/20 0.48
GFER P55789 1/20 0.47
MAPK1 P28482 1/20 0.44
HSD11B1 P28845 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
SLC18A3 Q16572 2/20 0.44
SIGMAR1 Q99720 2/20 0.44
POLB P06746 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
KDM1A O60341 1/20 0.41
DRD2 P14416 2/20 0.41
DRD4 P21917 2/20 0.41
FFAR2 O15552 1/20 0.41
TRPC6 Q9Y210 1/20 0.41
HTR1A P08908 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41

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
SCHEMBL17350607 1.00 ALDH1A1 (0.48) ALDH1A1LMNAHTTTSHRGFER
SCHEMBL17350931 0.90 HSD11B1 (0.56) ALDH1A1LMNATSHRHSD11B1SLC18A3
SCHEMBL10243897 0.90 HSD11B1 (0.56) ALDH1A1LMNATSHRHSD11B1SLC18A3
SCHEMBL10243899 0.89 ALDH1A1 (0.53) ALDH1A1LMNAHSD11B1SMN1; SMN2SLC18A3
SCHEMBL17350908 0.89 ALDH1A1 (0.53) ALDH1A1LMNAHSD11B1SMN1; SMN2SLC18A3
SCHEMBL17350774 0.87 SLC18A3 (0.43) SLC18A3SIGMAR1POLBHRH3KDM1A
SCHEMBL10244165 0.87 SLC18A3 (0.43) SLC18A3SIGMAR1POLBHRH3KDM1A
SCHEMBL2682699 0.86 SLC18A3 (0.42) ALDH1A1SLC18A3SIGMAR1POLBHRH3
SCHEMBL17350675 0.86 PKM (0.48) ALDH1A1LMNAHTTFFAR2PKM
SCHEMBL10244183 0.86 FFAR2 (0.42) ALDH1A1SLC18A3SIGMAR1POLBHRH3

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 ALDH1A1 141/4885LMNA 2595/4885HTT 2290/4885

“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.