SCHEMBL705630

SCHEMBL705630

CC(C)(C)N(C(=O)O)C1CCN(CCN2C(=O)COc3ccc(Br)nc32)CC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 5/20 0.40
KCNH2 Q12809 12/20 0.39
HTT P42858 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
DRD2 P14416 1/20 0.35
CHRM3 P20309 1/20 0.35
HTR2A P28223 1/20 0.35
ADRA1A P35348 1/20 0.35
HRH1 P35367 1/20 0.35
ADRA1B P35368 1/20 0.35
MCHR1 Q99705 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 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
SCHEMBL709161 0.83 KCNH2 (0.51) CHRM1KCNH2HTTALDH1A1CHRM2
SCHEMBL704650 0.81 CHRM1 (0.60) CHRM1KCNH2HTTALDH1A1CHRM2
SCHEMBL705652 0.80 TSHR (0.53) CHRM1HTTALDH1A1CYP3A4CYP2C9
SCHEMBL923534 0.80 CHRM1 (0.47) CHRM1KCNH2HTTCHRM2CHRM4
SCHEMBL707302 0.80 KMO (0.56) CHRM1KCNH2HTT
SCHEMBL708589 0.80 KCNH2 (0.51) CHRM1KCNH2ALDH1A1CHRM5DRD2
SCHEMBL707115 0.79 KCNH2 (0.56) CHRM1KCNH2HTTALDH1A1CYP3A4
SCHEMBL704831 0.79 KCNH2 (0.41) CHRM1KCNH2HTTCHRM5CHRM3
SCHEMBL708406 0.78 KCNH2 (0.55) CHRM1KCNH2ALDH1A1CYP3A4CYP2C9
SCHEMBL707733 0.78 KCNH2 (0.56) CHRM1KCNH2ALDH1A1CHRM5CHRM3

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-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 (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-20110092495-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS PIGS, BPGM, IPMK CHRM1 4854/4885KCNH2 4242/4885HTT 2931/4885

“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.