SCHEMBL999807

SCHEMBL999807

COCCN1CCC=C(c2ccc(Br)cc2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.39
CHRM2 P08172 2/20 0.39
CHRM4 P08173 2/20 0.39
CHRM5 P08912 2/20 0.39
CHRM3 P20309 2/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
LSS P48449 1/20 0.36
LTA4H P09960 1/20 0.35
PTGS2 P35354 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 2/20 0.34
CHRM1 P11229 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL12925951 0.83 CASR (0.41) KCNH2CHRM2CHRM4CHRM5CHRM3
SCHEMBL997728 0.81 CYP2D6 (0.45) KCNH2CHRM2CHRM4CHRM5CHRM3
SCHEMBL3156325 0.75 CHRNB2 (0.55) CHRM2CHRM3LSSCHRM1CHRNB2
SCHEMBL20548499 0.70 CARM1 (0.52) SIGMAR1HRH3ALDH1A1KDM4EMEN1
SCHEMBL12951373 0.69 SIGMAR1 (0.50) KCNH2CHRM2CHRM4CHRM5CHRM3
SCHEMBL1926621 0.68 ALDH1A1 (0.53) SIGMAR1HRH3ALDH1A1KDM4EMEN1
SCHEMBL22421710 0.67 KDM4E (0.35) ALDH1A1KDM4E
SCHEMBL11196119 0.67 IGF1R (0.49) KCNH2CHRM2CHRM4CHRM5CHRM3
SCHEMBL11621812 0.67 LMNA (0.43) CHRM2LTA4HPTGS2CHRM1MEN1
SCHEMBL12950819 0.67 SIGMAR1 (0.48) KCNH2CHRM2CHRM4CHRM5CHRM3

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-7867980-B2 Lincosamide derivatives and antimicrobial agents comprising the same as active ingredient MEIJI SEIKA KAISHA, LTD. (JP) 2011-01-11 US disclosed
US-20100184746-A1 LINCOSAMIDE DERIVATIVES AND ANTIMICROBIAL AGENTS COMPRISING THE SAME AS ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD 2010-07-22 US disclosed
EP-2166015-A1 LINCOSAMIDE DERIVATIVE, AND ANTIBACTERIAL AGENT COMPRISING THE SAME AS ACTIVE INGREDIENT Meiji Seika Kaisha Ltd. (JP) 2010-03-24 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-20100184746-A1 LINCOSAMIDE DERIVATIVES AND ANTIMICROBIAL AGENTS COMPRISING THE SAME AS ACTIVE INGREDIENT SIRT6, LAS1L, MRPS18A KCNH2 1370/4885CHRM2 1230/4885CHRM4 2043/4885

“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.