SCHEMBL15836739

SCHEMBL15836739

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

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 12/20 0.44
CYP2C19 P33261 8/20 0.44
MAPK1 P28482 4/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 9/20 0.43
USP2 O75604 4/20 0.43
PDK2 Q15119 1/20 0.42
HIF1A Q16665 4/20 0.42
TSHR P16473 4/20 0.42
CYP2D6 P10635 7/20 0.41
CYP2C9 P11712 4/20 0.41
ALDH1A1 P00352 5/20 0.41
CYP1A2 P05177 5/20 0.40
HPGD P15428 2/20 0.40
ALOX15 P16050 1/20 0.39

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
SCHEMBL15836945 0.85 PDK2 (0.46) MEN1KMT2APDK2
SCHEMBL15836738 0.84 BACE1 (0.47) CYP3A4CYP2C19MAPK1MEN1KMT2A
SCHEMBL15969314 0.82 SMN1; SMN2 (0.40) CYP2C19PDK2CYP2C9ALDH1A1HPGD
SCHEMBL15837085 0.80 FASN (0.40) PDK2ALDH1A1
SCHEMBL20221103 0.77 BACE1 (0.43) CYP3A4CYP2C19MAPK1MEN1KMT2A
SCHEMBL30676372 0.76 CYP3A4 (0.40) CYP3A4CYP2C19MAPK1MEN1KMT2A
SCHEMBL29341383 0.76 CYP3A4 (0.40) CYP3A4CYP2C19MAPK1MEN1KMT2A
SCHEMBL15837092 0.76 CYP1A2 (0.42) CYP3A4PDK2HIF1ACYP2D6ALDH1A1
SCHEMBL2596388 0.74 ABHD6 (0.53)
SCHEMBL204595 0.73 PDK2 (0.43) PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20190106450-A1 Mannose Derivatives for Treating Bacterial Infections VERTEX PHARMACEUTICALS INCORPORATED 2019-04-11 US disclosed
US-20190106450-A1 Mannose Derivatives for Treating Bacterial Infections VERTEX PHARMACEUTICALS INCORPORATED 2019-04-11 US disclosed
EP-3388441-A1 MANNOSE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS Vertex Pharmaceuticals Incorporated (US) 2018-10-17 EP 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 CYP3A4 3435/4885CYP2C19 2197/4885MAPK1 614/4885
US-20160235775-A1 Mannose Derivatives for Treating Bacterial Infections MPI, MANBA, MAN2A1 CYP3A4 3435/4885CYP2C19 2197/4885MAPK1 614/4885
US-20190106450-A1 Mannose Derivatives for Treating Bacterial Infections MPI, MANBA, MAN2A1 CYP3A4 3435/4885CYP2C19 2197/4885MAPK1 614/4885
US-10913761-B2 2,7-dibromospiro[fluorene-9,4′-piperidine] compounds DHPS, CFTR, FDPS CYP3A4 838/4885CYP2C19 97/4885MAPK1 3831/4885
US-20220135609-A1 Mannose Derivatives for Treating Bacterial Infections MPI, MANBA, MAN2A1 CYP3A4 3435/4885CYP2C19 2197/4885MAPK1 614/4885
US-10669298-B2 Mannose derivatives for treating bacterial infections MPI, MANBA, MAN2A1 CYP3A4 3435/4885CYP2C19 2197/4885MAPK1 614/4885
US-20200270293-A1 Mannose Derivatives for Treating Bacterial Infections MPI, MANBA, MAN2A1 CYP3A4 3435/4885CYP2C19 2197/4885MAPK1 614/4885

“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.