SCHEMBL17486126

SCHEMBL17486126

Fc1cc(-c2ccc3c(c2)C2CCC3C2)ncc1Br

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.33
CHRNB2 P17787 2/20 0.33
CHRNB4 P30926 2/20 0.33
CHRNA3 P32297 2/20 0.33
CHRNA4 P43681 2/20 0.33
EP300 Q09472 1/20 0.31
KCNH2 Q12809 2/20 0.30
KDM1B Q8NB78 1/20 0.30
SLC6A3 Q01959 1/20 0.30
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL17485995 0.84 GRM5 (0.34) KDM1ACHRNB2CHRNA4SIGMAR1
SCHEMBL17486014 0.84 NOTUM (0.36) KDM1ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL15615049 0.82 SIGMAR1 (0.33) KDM1ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL16905416 0.80 ALOX5AP (0.34) CHRNB2CHRNB4CHRNA3CHRNA4SIGMAR1
SCHEMBL19295072 0.79 HSD17B1 (0.34) KDM1A
SCHEMBL17486224 0.76 KDM1A (0.35) KDM1ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL19295092 0.76 LPL (0.32)
SCHEMBL16905136 0.75 ALOX5AP (0.32)
SCHEMBL16905608 0.75 ALOX5AP (0.36)
SCHEMBL17486130 0.75 CNR2 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3174890-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-03-13 EP disclosed
US-9853228-B2 Metal complexes MERCK PATENT GMBH (DE) 2017-12-26 US disclosed
US-9853228-B2 Metal complexes MERCK PATENT GMBH (DE) 2017-12-26 US disclosed
US-20170250353-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2017-08-31 US disclosed
US-20170250353-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2017-08-31 US disclosed
WO-2016015815-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2016-02-04 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 (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-20170250353-A1 METAL COMPLEXES SOD1, AP1M1, AP3M1 KDM1A 4098/4885CHRNB2 2266/4885CHRNB4 2193/4885

“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.