SCHEMBL11942856

SCHEMBL11942856

C[C@]12CCC[C@](NC(=O)c3cnccn3)(CC1)C2

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 15/20 0.55
PABPC1 P11940 1/20 0.53
FPR2 P25090 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL11942863 1.00 GRM5 (0.55) GRM5PABPC1FPR2SMN1; SMN2LMNA
SCHEMBL19192173 0.86 GRM5 (0.56) GRM5PABPC1FPR2SMN1; SMN2LMNA
SCHEMBL11942859 0.83 GRM5 (0.70) GRM5FPR2RAB9AKDM4EGAA
SCHEMBL11942857 0.83 GRM5 (0.70) GRM5FPR2RAB9AKDM4EGAA
SCHEMBL11942862 0.82 GRM5 (0.55) GRM5PABPC1FPR2SMN1; SMN2LMNA
SCHEMBL10152336 0.82 GRM5 (0.55) GRM5PABPC1FPR2SMN1; SMN2LMNA
SCHEMBL11031733 0.81 GRM5 (0.62) GRM5PABPC1FPR2NPC1RAB9A
SCHEMBL11942858 0.81 GRM5 (0.62) GRM5FPR2
SCHEMBL9952341 0.81 GRM5 (0.62) GRM5FPR2
SCHEMBL11942855 0.81 GRM5 (0.62) GRM5FPR2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170217950-A1 Bicyclo[3.2.1]Octyl Amide Derivatives and Uses of Same H. LUNDBECK A/S (DK) 2017-08-03 US disclosed
US-9656975-B2 Bicyclo[3.2.1]octyl amide derivatives and uses of same H. LUNDBECK A/S (DK) 2017-05-23 US disclosed
US-20150057289-A1 BICYCLO[3.2.1.]OCTYL AMIDE DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2015-02-26 US disclosed
US-8921370-B2 Bicyclo[3.2.1]octyl amide derivatives and uses of same H. LUNDBECK A/S (DK) 2014-12-30 US disclosed
US-20120190686-A1 BICYCLO[3.2.1]OCTYL AMIDE DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2012-07-26 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 (3 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-20170217950-A1 Bicyclo[3.2.1]Octyl Amide Derivatives and Uses of Same SLC10A1, CLIC1, ABCB11 GRM5 3148/4885PABPC1 3357/4885FPR2 2633/4885
US-20150057289-A1 BICYCLO[3.2.1.]OCTYL AMIDE DERIVATIVES AND USES OF SAME SLC10A1, CLIC1, ABCB11 GRM5 3192/4885PABPC1 3171/4885FPR2 2583/4885
US-20120190686-A1 BICYCLO[3.2.1]OCTYL AMIDE DERIVATIVES AND USES OF SAME SLC10A1, CLIC1, ABCB11 GRM5 3148/4885PABPC1 3357/4885FPR2 2633/4885

“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.