SCHEMBL705652

SCHEMBL705652

Cc1ccc2c(c1)N(CCN1CCC(N(C(=O)O)C(C)(C)C)CC1)C(=O)CO2

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.53
HTT P42858 2/20 0.53
CYP3A4 P08684 3/20 0.53
CYP2C19 P33261 2/20 0.53
CYP2C9 P11712 1/20 0.53
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
PLK1 P53350 1/20 0.48
POLB P06746 3/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
CYP2D6 P10635 1/20 0.47
CHRM1 P11229 1/20 0.47
TP53 P04637 2/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPT P10636 1/20 0.45

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 0.91 KCNH2 (0.51) TSHRHTTCYP3A4CYP2C19CYP2C9
SCHEMBL708589 0.90 KCNH2 (0.51) CYP3A4CYP2C19CYP2C9ALDH1A1CHRM1
SCHEMBL707302 0.90 KMO (0.56) HTTMEN1KMT2ACHRM1MAPT
SCHEMBL707115 0.89 KCNH2 (0.56) TSHRHTTCYP3A4CYP2C19CYP2C9
SCHEMBL708406 0.88 KCNH2 (0.55) TSHRCYP3A4CYP2C19CYP2C9MEN1
SCHEMBL704650 0.87 CHRM1 (0.60) HTTALDH1A1CHRM1
SCHEMBL705187 0.87 KCNH2 (0.53) TSHRHTTCYP3A4CYP2C19CYP2C9
SCHEMBL706189 0.87 KCNH2 (0.54) KMT2APOLBALDH1A1GAACHRM1
SCHEMBL705943 0.87 KCNH2 (0.46) KMT2APOLBALDH1A1GAACHRM1
SCHEMBL708216 0.87 KCNH2 (0.54) CYP3A4CYP2C19CYP2C9MEN1KMT2A

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 TSHR 4850/4885HTT 2931/4885CYP3A4 3414/4885

“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.