SCHEMBL1132867

SCHEMBL1132867

COc1ccccc1[C@H](C)NC[C@H](C)N

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
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
KMT2A Q03164 2/20 0.40
CA12 O43570 1/20 0.40
CA4 P22748 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
MEN1 O00255 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
LPAR1 Q92633 1/20 0.39

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
SCHEMBL1132538 1.00 CA1 (0.53) CA1CA2ACHEHTR2AHTR2C
SCHEMBL20525463 0.85 ANPEP (0.42)
SCHEMBL1133278 0.84 CA1 (0.48) CA1CA2ACHEHTR2AHTR2C
SCHEMBL1132879 0.84 CA1 (0.48) CA1CA2ACHEHTR2AHTR2C
SCHEMBL1132876 0.84 CA1 (0.48) CA1CA2ACHEHTR2AHTR2C
SCHEMBL8756990 0.82 LMNA (0.46) CA1CA2ACHEHTR2AHTR2C
SCHEMBL17029843 0.80 CA1 (0.53) CA1CA2ACHEHTR2AHTR2C
SCHEMBL10244994 0.80 CA1 (0.53) CA1CA2ACHEHTR2AHTR2C
SCHEMBL12608411 0.80 CA1 (0.46) CA1CA2ACHEHTR2AHTR2C
SCHEMBL335035 0.79 CA1 (0.53) CA1CA2ACHEHTR2AHTR2C

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 3 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-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

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-20110152239-A1 10A-AZALIDE COMPOUND HAVING 4-MEMBERED RING STRUCTURE ELOVL3, ELOVL5, SCD5 CA1 4365/4885CA2 4058/4885ACHE 1195/4885

“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.