SCHEMBL708294

SCHEMBL708294

COc1ccc2c(c1)N(CCCN1CCN(CC=Cc3cc(F)ccc3F)CC1)C(=O)CO2

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.47
HTR2A P28223 2/20 0.47
MCHR1 Q99705 2/20 0.47
CHRM1 P11229 6/20 0.45
CHRM5 P08912 1/20 0.45
CHRM3 P20309 1/20 0.45
PIK3CD O00329 1/20 0.45
PIK3CA P42336 1/20 0.45
PIK3CB P42338 1/20 0.45
PIK3CG P48736 1/20 0.45
KCNH2 Q12809 5/20 0.44
ALOX15 P16050 1/20 0.40
TP53 P04637 1/20 0.40
GAA P10253 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
SCHEMBL708293 1.00 DRD2 (0.47) DRD2HTR2AMCHR1CHRM1CHRM5
SCHEMBL707602 0.86 KCNH2 (0.51) MCHR1CHRM1CHRM5CHRM3KCNH2
SCHEMBL707601 0.86 KCNH2 (0.51) MCHR1CHRM1CHRM5CHRM3KCNH2
SCHEMBL704735 0.83 KCNH2 (0.42) CHRM1CHRM5CHRM3PIK3CDPIK3CA
SCHEMBL711421 0.83 KCNH2 (0.42) CHRM1CHRM5CHRM3PIK3CDPIK3CA
SCHEMBL711420 0.83 KCNH2 (0.42) CHRM1CHRM5CHRM3PIK3CDPIK3CA
SCHEMBL30665902 0.80 DRD2 (0.58) DRD2HTR2AMCHR1CHRM1CHRM5
SCHEMBL706080 0.76 DRD2 (0.53) DRD2HTR2AMCHR1CHRM1CHRM5
SCHEMBL707478 0.74 CHRM1 (0.39) DRD2HTR2AMCHR1CHRM1CHRM5
SCHEMBL707477 0.74 CHRM1 (0.39) DRD2HTR2AMCHR1CHRM1CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2289890-A1 Compounds for the treatment of multi-drug resistant bacterial infections AstraZeneca AB (SE) 2011-03-02 EP claimed
US-20120108577-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2012-05-03 US disclosed
US-8124602-B2 Compounds for the treatment of multi-drug resistant bacterial infections ASTRAZENECA AB (SE) 2012-02-28 US disclosed
US-20110092495-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2011-04-21 US disclosed
EP-2289890-A1 Compounds for the treatment of multi-drug resistant bacterial infections AstraZeneca AB (SE) 2011-03-02 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 (2 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-20110092495-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK DRD2 3243/4885HTR2A 4860/4885MCHR1 4238/4885
US-20120108577-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK DRD2 3243/4885HTR2A 4860/4885MCHR1 4238/4885

“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.