SCHEMBL15836738

SCHEMBL15836738

CC(=O)N1CCC2(CC1)c1cc(Br)ccc1-c1ccc(Br)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
PTAFR P25105 1/20 0.41
ALDH1A1 P00352 4/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MME P08473 1/20 0.40
USP2 O75604 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C19 P33261 2/20 0.39
MAPK1 P28482 1/20 0.39
PDK2 Q15119 1/20 0.39
CYP3A4 P08684 2/20 0.39
HIF1A Q16665 1/20 0.39
BAZ2B Q9UIF8 2/20 0.39
CYP2C9 P11712 3/20 0.38
TSHR P16473 1/20 0.38
ALK Q9UM73 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
SCHEMBL20221103 0.92 BACE1 (0.43) BACE1SMN1; SMN2NPC1RAB9APTAFR
SCHEMBL15969314 0.86 SMN1; SMN2 (0.40) BACE1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL15836739 0.84 CYP3A4 (0.44) ALDH1A1MEN1KMT2AUSP2CYP2C19
SCHEMBL26442429 0.83 POLB (0.41) SMN1; SMN2PTAFRALDH1A1USP2MAPT
SCHEMBL15837085 0.83 FASN (0.40) BACE1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL15836945 0.81 PDK2 (0.46) BACE1MEN1KMT2APDK2ALK
SCHEMBL15837092 0.79 CYP1A2 (0.42) BACE1ALDH1A1PDK2CYP3A4HIF1A
SCHEMBL204595 0.76 PDK2 (0.43) BACE1PDK2
SCHEMBL15982012 0.76 PDK2 (0.35) BACE1PDK2
SCHEMBL15836825 0.76 NEK2 (0.46) SMN1; SMN2ALDH1A1MEN1KMT2AUSP2

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230139731-A1 PROCESS FOR PREPARING MANNOSE DERIVATIVES ENTEROME (FR) 2023-05-04 US disclosed
US-20230139731-A1 PROCESS FOR PREPARING MANNOSE DERIVATIVES ENTEROME (FR) 2023-05-04 US disclosed
US-20220135609-A1 Mannose Derivatives for Treating Bacterial Infections VERTEX PHARMA (US) 2022-05-05 US disclosed
US-10913761-B2 2,7-dibromospiro[fluorene-9,4′-piperidine] compounds VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-02-09 US disclosed
US-10913761-B2 2,7-dibromospiro[fluorene-9,4′-piperidine] compounds VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-02-09 US disclosed
US-20200270293-A1 Mannose Derivatives for Treating Bacterial Infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2020-08-27 US disclosed
US-20200270293-A1 Mannose Derivatives for Treating Bacterial Infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2020-08-27 US disclosed
US-10669298-B2 Mannose derivatives for treating bacterial infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-06-02 US disclosed
US-10669298-B2 Mannose derivatives for treating bacterial infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-06-02 US disclosed
WO-2020021113-A1 PROCESS FOR PREPARING MANNOSE DERIVATIVES ENTEROME (FR) 2020-01-30 WO disclosed
US-9598454-B2 Mannose derivatives for treating bacterial infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-03-21 US disclosed
US-9598454-B2 Mannose derivatives for treating bacterial infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-03-21 US disclosed
US-9598454-B2 Mannose derivatives for treating bacterial infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-03-21 US disclosed
US-20160235775-A1 Mannose Derivatives for Treating Bacterial Infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2016-08-18 US disclosed
US-20160235775-A1 Mannose Derivatives for Treating Bacterial Infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2016-08-18 US disclosed
US-20160235775-A1 Mannose Derivatives for Treating Bacterial Infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2016-08-18 US disclosed
US-20140243283-A1 MANNOSE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-28 US disclosed
US-20140243283-A1 MANNOSE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-28 US disclosed
US-20140243283-A1 MANNOSE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-28 US disclosed
WO-2014100158-A1 MANNOSE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-06-26 WO 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 (7 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-20140243283-A1 MANNOSE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS MPI, MANBA, MAN2A1 BACE1 1917/4885SMN1; SMN2 3742/4885NPC1 685/4885
US-20160235775-A1 Mannose Derivatives for Treating Bacterial Infections MPI, MANBA, MAN2A1 BACE1 1917/4885SMN1; SMN2 3742/4885NPC1 685/4885
US-20230139731-A1 PROCESS FOR PREPARING MANNOSE DERIVATIVES C1R, CBR1, FUT8 BACE1 2719/4885SMN1; SMN2 3147/4885NPC1 1258/4885
US-10913761-B2 2,7-dibromospiro[fluorene-9,4′-piperidine] compounds DHPS, CFTR, FDPS BACE1 2980/4885SMN1; SMN2 2744/4885NPC1 390/4885
US-20220135609-A1 Mannose Derivatives for Treating Bacterial Infections MPI, MANBA, MAN2A1 BACE1 1917/4885SMN1; SMN2 3742/4885NPC1 685/4885
US-10669298-B2 Mannose derivatives for treating bacterial infections MPI, MANBA, MAN2A1 BACE1 1917/4885SMN1; SMN2 3742/4885NPC1 685/4885
US-20200270293-A1 Mannose Derivatives for Treating Bacterial Infections MPI, MANBA, MAN2A1 BACE1 1917/4885SMN1; SMN2 3742/4885NPC1 685/4885

“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.