SCHEMBL969217

SCHEMBL969217

CN(C)C[C@@H]1CCCN1C(=O)c1ccc(Br)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.48
CHRNA7 P36544 1/20 0.48
CHRNA4 P43681 1/20 0.48
L3MBTL3 Q96JM7 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
HPGD P15428 2/20 0.46
GAA P10253 1/20 0.46
OPRK1 P41145 1/20 0.46
POLB P06746 2/20 0.45
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
EPHX2 P34913 1/20 0.41

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
SCHEMBL969218 1.00 CHRNB2 (0.48) CHRNB2CHRNA7CHRNA4L3MBTL3L3MBTL1
SCHEMBL12947866 0.88 KMT2A (0.47) L3MBTL3KMT2AMEN1HPGDGAA
SCHEMBL12919990 0.84 KMT2A (0.49) L3MBTL3KMT2AMEN1HPGDGAA
SCHEMBL966968 0.83 SPHK2 (0.55) CHRNB2CHRNA7CHRNA4L3MBTL3L3MBTL1
SCHEMBL966970 0.83 SPHK2 (0.55) CHRNB2CHRNA7CHRNA4L3MBTL3L3MBTL1
SCHEMBL970102 0.83 SPHK2 (0.55) CHRNB2CHRNA7CHRNA4L3MBTL3L3MBTL1
SCHEMBL970043 0.82 HPGD (0.49) CHRNB2CHRNA7CHRNA4L3MBTL3L3MBTL1
SCHEMBL970042 0.82 HPGD (0.49) CHRNB2CHRNA7CHRNA4L3MBTL3L3MBTL1
SCHEMBL968551 0.82 HPGD (0.49) CHRNB2CHRNA7CHRNA4L3MBTL3L3MBTL1
SCHEMBL968549 0.82 HPGD (0.49) CHRNB2CHRNA7CHRNA4L3MBTL3L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7871982-B2 Lincomycin derivatives and antimicrobial agents comprising the same as active ingredient MEIJI SEIKA KAISHA, LTD. (JP) 2011-01-18 US disclosed
US-20090156512-A1 potent activity against resistant pneumococci MEIJI SEIKA KAISHA, LTD. (JP) 2009-06-18 US disclosed
EP-1970377-A1 LINCOMYCIN DERIVATIVE AND ANTIBACTERIAL AGENT CONTAINING THE SAME AS ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD. (JP) 2008-09-17 EP 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 (1 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-20090156512-A1 potent activity against resistant pneumococci H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NAT1, NPM1 CHRNB2 4718/4885CHRNA7 4121/4885CHRNA4 4713/4885

“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.