SCHEMBL707115

SCHEMBL707115

CC(=O)c1ccc2c(c1)N(CCN1CCC(N(C(=O)O)C(C)(C)C)CC1)C(=O)CO2

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.56
CHRM1 P11229 3/20 0.45
ALDH1A1 P00352 1/20 0.42
MAPT P10636 2/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMO O15229 1/20 0.41
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
ALOX15 P16050 1/20 0.40

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 0.90 KCNH2 (0.51) KCNH2CHRM1ALDH1A1CYP3A4CYP2C9
SCHEMBL705652 0.89 TSHR (0.53) CHRM1ALDH1A1MAPTCYP3A4CYP2C9
SCHEMBL708589 0.88 KCNH2 (0.51) KCNH2CHRM1ALDH1A1CYP3A4CYP2C9
SCHEMBL707302 0.88 KMO (0.56) KCNH2CHRM1MAPTKMOHTT
SCHEMBL708406 0.86 KCNH2 (0.55) KCNH2CHRM1ALDH1A1MAPTCYP3A4
SCHEMBL704650 0.86 CHRM1 (0.60) KCNH2CHRM1ALDH1A1HTT
SCHEMBL706189 0.86 KCNH2 (0.54) KCNH2CHRM1ALDH1A1
SCHEMBL705187 0.86 KCNH2 (0.53) KCNH2CHRM1ALDH1A1MAPTCYP3A4
SCHEMBL705943 0.85 KCNH2 (0.46) KCNH2CHRM1ALDH1A1
SCHEMBL708216 0.85 KCNH2 (0.54) KCNH2CHRM1ALDH1A1CYP3A4CYP2C9

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 2 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

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 4854/4885ALDH1A1 2130/4885

“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.