SCHEMBL5185334

SCHEMBL5185334

CCn1ncc2c1C(C(=O)OC)N1CC2N(OCc2ccccc2)C1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 4/20 0.33
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33
CHRM5 P08912 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAB9A P51151 3/20 0.32
NPC1 O15118 2/20 0.32
LMNA P02545 2/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
MCHR1 Q99705 2/20 0.32

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
SCHEMBL4695543 0.94 KCNA5 (0.34) KCNA5POLBCYP3A4CYP2C9CYP2C19
SCHEMBL4695537 0.94 KCNA5 (0.34) KCNA5POLBCYP3A4CYP2C9CYP2C19
SCHEMBL4695546 0.94 KCNA5 (0.34) KCNA5POLBCYP3A4CYP2C9CYP2C19
SCHEMBL22030701 0.92 KCNA5 (0.33) KCNA5POLBCYP3A4CYP2C9CYP2C19
SCHEMBL5253690 0.92 KCNA5 (0.35) KCNA5CHRM2CHRM4CHRM5CHRM1
SCHEMBL4130799 0.91 POLB (0.35) KCNA5POLBRAB9ANPC1LMNA
SCHEMBL4130795 0.91 POLB (0.35) KCNA5POLBRAB9ANPC1LMNA
SCHEMBL4155718 0.90 SMN1; SMN2 (0.39) POLBCYP3A4CYP2C9CYP2C19RAB9A
SCHEMBL4155713 0.90 SMN1; SMN2 (0.39) POLBCYP3A4CYP2C9CYP2C19RAB9A
SCHEMBL22030700 0.90 KCNA5 (0.32) KCNA5POLBCYP3A4CYP2C9CYP2C19

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-7288549-B2 Heterocyclic compounds, method for preparing same and use thereof as medicines, in particular as antibacterial agents AVENTIS PHARMA S.A. (FR) 2007-10-30 US disclosed
US-20050245505-A1 Novel heterocyclic compounds, method for preparing same and use thereof as medicines, in particular as antibacterial agents ENTASIS THERAPEUTICS LIMITED (GB) 2005-11-03 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-20050245505-A1 Novel heterocyclic compounds, method for preparing same and use thereof as medicines, in particular as antibacterial agents FDPS, MRPL21, DHPS KCNA5 1292/4885CHRM2 4602/4885CHRM4 4703/4885

“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.