SCHEMBL15969314

SCHEMBL15969314

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 5/20 0.38
TP53 P04637 1/20 0.38
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 2/20 0.37
SRD5A1 P18405 1/20 0.36
SRD5A2 P31213 1/20 0.36
BACE1 P56817 1/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA7 P43166 2/20 0.36
CA9 Q16790 2/20 0.36
CA12 O43570 1/20 0.36
CA14 Q9ULX7 1/20 0.36
NEK2 P51955 1/20 0.36
PDK2 Q15119 1/20 0.36
POLB P06746 1/20 0.35

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
SCHEMBL15836738 0.86 BACE1 (0.47) SMN1; SMN2ALDH1A1RAB9ANPC1MAPT
SCHEMBL15836739 0.82 CYP3A4 (0.44) ALDH1A1HPGDPDK2CYP2C9CYP2C19
SCHEMBL15837085 0.81 FASN (0.40) SMN1; SMN2ALDH1A1TP53RAB9ANPC1
SCHEMBL20221103 0.79 BACE1 (0.43) SMN1; SMN2ALDH1A1RAB9ANPC1MAPT
SCHEMBL15836945 0.79 PDK2 (0.46) LMNABACE1PDK2
SCHEMBL204595 0.77 PDK2 (0.43) BACE1CA1CA2CA7CA9
SCHEMBL8311798 0.77 THRB (0.44) ALDH1A1TP53MAPTPDK2
SCHEMBL15837092 0.77 CYP1A2 (0.42) ALDH1A1BACE1PDK2
SCHEMBL2075657 0.76 IP6K1 (0.46) LMNACYP2C9PKM
SCHEMBL15836825 0.74 NEK2 (0.46) SMN1; SMN2ALDH1A1HPGDNEK2CYP2C9

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-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-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
EP-3388441-A1 MANNOSE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS Vertex Pharmaceuticals Incorporated (US) 2018-10-17 EP disclosed
EP-2935302-B1 MANNOSE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS VERTEX PHARMA (US) 2018-06-06 EP disclosed
US-9963478-B2 Mannose derivatives for treating bacterial infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-05-08 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-20140243283-A1 MANNOSE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-28 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 (6 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 SMN1; SMN2 3742/4885ALDH1A1 1603/4885TP53 4755/4885
US-20160235775-A1 Mannose Derivatives for Treating Bacterial Infections MPI, MANBA, MAN2A1 SMN1; SMN2 3742/4885ALDH1A1 1603/4885TP53 4755/4885
US-20190106450-A1 Mannose Derivatives for Treating Bacterial Infections MPI, MANBA, MAN2A1 SMN1; SMN2 3742/4885ALDH1A1 1603/4885TP53 4755/4885
US-10913761-B2 2,7-dibromospiro[fluorene-9,4′-piperidine] compounds DHPS, CFTR, FDPS SMN1; SMN2 2744/4885ALDH1A1 283/4885TP53 3556/4885
US-10669298-B2 Mannose derivatives for treating bacterial infections MPI, MANBA, MAN2A1 SMN1; SMN2 3742/4885ALDH1A1 1603/4885TP53 4755/4885
US-20200270293-A1 Mannose Derivatives for Treating Bacterial Infections MPI, MANBA, MAN2A1 SMN1; SMN2 3742/4885ALDH1A1 1603/4885TP53 4755/4885

“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.