SCHEMBL1132898

SCHEMBL1132898

CCN(CCN)C1CCCc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
XBP1 P17861 1/20 0.48
HTT P42858 1/20 0.48
RAB9A P51151 1/20 0.43
DRD2 P14416 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
CXCR4 P61073 2/20 0.42
IDO1 P14902 1/20 0.42

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
SCHEMBL29269190 0.90 DRD2 (0.51) ALDH1A1XBP1HTTRAB9ADRD2
SCHEMBL12124883 0.88 HTT (0.55) ALDH1A1XBP1HTTRAB9ADRD2
SCHEMBL12609208 0.82 HTT (0.48) ALDH1A1XBP1HTTRAB9ADRD2
SCHEMBL1682368 0.82 DRD2 (0.57) ALDH1A1XBP1HTTRAB9ADRD2
SCHEMBL8843210 0.81 CXCR4 (0.55) DRD2CXCR4
SCHEMBL1132819 0.79 TAS1R3 (0.40) DRD2
SCHEMBL7784661 0.78 CXCR4 (0.51) DRD2CXCR4
SCHEMBL12124859 0.77 HTT (0.57) ALDH1A1XBP1HTTRAB9AMAOA
SCHEMBL12124857 0.77 HTT (0.57) ALDH1A1XBP1HTTRAB9AMAOA
SCHEMBL12124861 0.77 HTT (0.57) ALDH1A1XBP1HTTRAB9AMAOA

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 ALDH1A1 3050/4885XBP1 4627/4885HTT 2942/4885

“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.