SCHEMBL707422

SCHEMBL707422

Cn1c(=O)c2ccc(F)cc2n(CCN2CCC(N(C(=O)O)C(C)(C)C)CC2)c1=O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.38
SLC6A4 P31645 1/20 0.38
CCR3 P51677 1/20 0.38
PER2 O15055 2/20 0.37
CRY1 Q16526 2/20 0.37
CRY2 Q49AN0 2/20 0.37
OPRM1 P35372 5/20 0.36
TMEM97 Q5BJF2 2/20 0.36
HTR2A P28223 3/20 0.36
HTR7 P34969 3/20 0.36
KCNH2 Q12809 3/20 0.36
CCR5 P51681 2/20 0.36
TACR1 P25103 1/20 0.36

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
SCHEMBL707117 0.87 GRM2 (0.39) OPRM1HTR7KCNH2TACR1
SCHEMBL705075 0.82 KCNH2 (0.36) DRD2SLC6A4CCR3OPRM1TMEM97
SCHEMBL707961 0.82 KCNH2 (0.40) CCR3OPRM1TMEM97KCNH2CCR5
Trifluoroacetic Acid SCHEMBL706416 0.81 DRD2 (0.39) DRD2SLC6A4CCR3
SCHEMBL924021 0.81 CNR2 (0.47) DRD2SLC6A4HTR2AKCNH2
SCHEMBL707496 0.80 KCNH2 (0.35) DRD2SLC6A4CCR3OPRM1TMEM97
SCHEMBL705166 0.80 DRD2 (0.45) DRD2SLC6A4CCR3
SCHEMBL707111 0.79 KCNH2 (0.45) KCNH2
SCHEMBL706980 0.78 KCNH2 (0.44) KCNH2
SCHEMBL704124 0.77 KCNH2 (0.38) HTR2AHTR7KCNH2

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 DRD2 3243/4885SLC6A4 4722/4885CCR3 2346/4885

“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.