SCHEMBL335035

SCHEMBL335035

COc1ccccc1[C@H](C)NCCN

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.53
CA2 P00918 3/20 0.53
ACHE P22303 2/20 0.53
MEN1 O00255 1/20 0.45
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
KMT2A Q03164 1/20 0.45
TAAR1 Q96RJ0 1/20 0.44
IDO1 P14902 1/20 0.44
TDO2 P48775 1/20 0.44
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CHRM2 P08172 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
CA12 O43570 1/20 0.40
CA4 P22748 1/20 0.40
CA7 P43166 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
SCHEMBL335337 0.87 ALDH1A1 (0.44) CA1CA2ACHEKMT2AHTR2A
SCHEMBL18575556 0.85 SLC6A2 (0.42) MEN1OPRM1KMT2ATAAR1HTR2A
SCHEMBL1989100 0.83 CA1 (0.49) CA1CA2ACHEMEN1OPRM1
SCHEMBL10244994 0.80 CA1 (0.53) CA1CA2ACHEMEN1OPRM1
SCHEMBL17029843 0.80 CA1 (0.53) CA1CA2ACHEMEN1OPRM1
SCHEMBL1132813 0.80 TAAR1 (0.42) CA1CA2ACHEMEN1KMT2A
SCHEMBL1132386 0.80 CA1 (0.46) CA1CA2ACHEMEN1OPRM1
SCHEMBL1132867 0.79 CA1 (0.53) CA1CA2ACHEMEN1OPRM1
SCHEMBL1132538 0.79 CA1 (0.53) CA1CA2ACHEMEN1OPRM1
SCHEMBL12608393 0.79 CA1 (0.45) CA1CA2ACHEMEN1OPRM1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8299035-B2 10a-azalide compound having 4-membered ring structure TAISHO PHARMACEUTUCAL CO., LTD. (JP) 2012-10-30 US disclosed
US-8097708-B2 10a-Azalide compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-01-17 US disclosed
US-20110152239-A1 10A-AZALIDE COMPOUND HAVING 4-MEMBERED RING STRUCTURE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-06-23 US disclosed
EP-2287173-A1 10A-AZALIDE COMPOUND HAVING 4-MEMBERED RING STRUCTURE Taisho Pharmaceutical Co., Ltd. (JP) 2011-02-23 EP 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 (2 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-20110152239-A1 10A-AZALIDE COMPOUND HAVING 4-MEMBERED RING STRUCTURE ELOVL3, ELOVL5, SCD5 CA1 4365/4885CA2 4058/4885ACHE 1195/4885
US-20090281292-A1 10a-Azalide Compound IL17A, AZI2, HDAC9 CA1 3677/4885CA2 3065/4885ACHE 1324/4885

“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.