SCHEMBL708406

SCHEMBL708406

COc1ccc2c(c1)N(CCN1CCC(N(C(=O)O)C(C)(C)C)CC1)C(=O)CO2

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 9/20 0.55
CHRM1 P11229 3/20 0.46
MEN1 O00255 1/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 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
SCHEMBL707733 0.91 KCNH2 (0.56) KCNH2CHRM1ALDH1A1CYP3A4CYP2C9
SCHEMBL709161 0.89 KCNH2 (0.51) KCNH2CHRM1TSHRALDH1A1CYP3A4
SCHEMBL707698 0.89 KCNH2 (0.46) KCNH2CHRM1MEN1TSHRKMT2A
SCHEMBL704857 0.88 KCNH2 (0.44) KCNH2CHRM1MEN1TSHRKMT2A
SCHEMBL704856 0.88 KCNH2 (0.44) KCNH2CHRM1MEN1TSHRKMT2A
SCHEMBL705652 0.88 TSHR (0.53) CHRM1MEN1TSHRKMT2AALDH1A1
SCHEMBL707302 0.87 KMO (0.56) KCNH2CHRM1MEN1KMT2ANPSR1
SCHEMBL708589 0.87 KCNH2 (0.51) KCNH2CHRM1ALDH1A1CYP3A4CYP2C9
SCHEMBL707115 0.86 KCNH2 (0.56) KCNH2CHRM1TSHRALDH1A1MAPT
SCHEMBL704650 0.85 CHRM1 (0.60) KCNH2CHRM1ALDH1A1

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 4 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
US-7875715-B2 6-[({1-[2-(7-methoxy-2-oxoquinoxalin-1(2H)-yl)ethyl]piperidin-4-yl}amino)methyl]-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one; antibacteria; methicillin-resistant Staphylococcus aureus (MRSA), methicillin-resistant coagulase-negative staphylococci (MRCNS), penicillin-resistant Streptococcus pneumoniae ASTRAZENECA AB (SE) 2011-01-25 US 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 KCNH2 4242/4885CHRM1 4854/4885MEN1 2771/4885

“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.