SCHEMBL11942898

SCHEMBL11942898

Cc1cccc(C(=O)N[C@@]23CCC[C@@](NC(=O)c4cccc(F)c4)(CC2)C3)n1

nearest known ligand 0.79

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 15/20 0.79
FPR2 P25090 10/20 0.79
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
P2RX7 Q99572 1/20 0.41
PKM P14618 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL11942896 1.00 GRM5 (0.79) GRM5FPR2NPC1POLBRAB9A
SCHEMBL11028230 1.00 GRM5 (0.79) GRM5FPR2NPC1POLBRAB9A
SCHEMBL19195097 0.89 GRM5 (0.70) GRM5FPR2P2RX7
SCHEMBL11942893 0.89 GRM5 (0.80) GRM5FPR2P2RX7
SCHEMBL11033554 0.89 GRM5 (0.80) GRM5FPR2P2RX7
SCHEMBL11942928 0.89 GRM5 (1.00) GRM5FPR2NPC1POLBRAB9A
SCHEMBL11942927 0.89 GRM5 (1.00) GRM5FPR2NPC1POLBRAB9A
SCHEMBL11942880 0.89 GRM5 (1.00) GRM5FPR2NPC1POLBRAB9A
SCHEMBL11942897 0.88 GRM5 (0.78) GRM5FPR2NPC1RAB9AMEN1
SCHEMBL11028474 0.88 GRM5 (0.78) GRM5FPR2NPC1RAB9AMEN1

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 10 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-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-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-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-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
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 3148/4885FPR2 2633/4885NPC1 98/4885
US-20150057289-A1 BICYCLO[3.2.1.]OCTYL AMIDE DERIVATIVES AND USES OF SAME SLC10A1, CLIC1, ABCB11 GRM5 3192/4885FPR2 2583/4885NPC1 74/4885
US-20120190686-A1 BICYCLO[3.2.1]OCTYL AMIDE DERIVATIVES AND USES OF SAME SLC10A1, CLIC1, ABCB11 GRM5 3148/4885FPR2 2633/4885NPC1 98/4885

“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.