SCHEMBL335275

SCHEMBL335275

CC(NCCN)c1ccccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.47
ADRB1 P08588 2/20 0.47
NISCH Q9Y2I1 1/20 0.46
AOC3 Q16853 1/20 0.40
IDO1 P14902 2/20 0.40
TDO2 P48775 2/20 0.40
IDO2 Q6ZQW0 2/20 0.40
CYP2D6 P10635 3/20 0.39
NFKB1 P19838 2/20 0.39
HIF1A Q16665 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
PNMT P11086 1/20 0.39
BLM P54132 1/20 0.38
LMNA P02545 2/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HTR6 P50406 1/20 0.38
DPP4 P27487 1/20 0.37

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
Hydrochloric Acid SCHEMBL4705491 0.98 ADRB2 (0.46) ADRB2ADRB1NISCHAOC3IDO1
SCHEMBL18575556 0.87 SLC6A2 (0.42) ADRB2ADRB1CYP2D6CYP1A2CYP3A4
SCHEMBL13137655 0.84 ADRB2 (0.49) ADRB2ADRB1NISCHAOC3CYP2D6
SCHEMBL11044330 0.81 ADRB2 (0.46) ADRB2ADRB1NISCHCYP2D6NFKB1
SCHEMBL335140 0.79 POLB (0.60) ADRB2ADRB1IDO1CYP2D6CYP1A2
SCHEMBL15131185 0.78 CASR (0.67) ADRB2ADRB1CYP2D6CYP1A2CYP3A4
SCHEMBL12652269 0.78 ADRB2 (0.50) ADRB2ADRB1NISCHAOC3IDO1
SCHEMBL335035 0.77 CA1 (0.53) IDO1TDO2LMNATAAR1CHRM2
SCHEMBL11594283 0.75 ADRB2 (0.46) ADRB2ADRB1NISCHAOC3IDO1
SCHEMBL335337 0.75 ALDH1A1 (0.44) LMNAALDH1A1KDM4EHTR1AADRA1A

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
EP-1501809-B1 TRIAZOLE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-01-16 EP claimed
US-8097708-B2 10a-Azalide compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-01-17 US disclosed
US-20090281292-A1 10a-Azalide Compound MEIJI SEIKA PHARMA CO., LTD. (JP) 2009-11-12 US disclosed
EP-1985620-A1 10a-AZALIDE COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2008-10-29 EP 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-20090281292-A1 10a-Azalide Compound IL17A, AZI2, HDAC9 ADRB2 4378/4885ADRB1 3011/4885NISCH 164/4885

“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.