SCHEMBL2384975

SCHEMBL2384975

COc1ccccc1[C@H](C)N1CC(N)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
ACHE P22303 1/20 0.41
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
CA12 O43570 1/20 0.39
CA4 P22748 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
OPRM1 P35372 2/20 0.38
OPRD1 P41143 2/20 0.38
OPRK1 P41145 2/20 0.38
OPRL1 P41146 2/20 0.38
CHRM2 P08172 2/20 0.38
CHRM4 P08173 2/20 0.38
CHRM5 P08912 2/20 0.38
CHRM1 P11229 2/20 0.38
CHRM3 P20309 2/20 0.38
ADRA1A P35348 1/20 0.38

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
SCHEMBL334807 0.88 CHRM2 (0.41) CA1CA2ACHEIDO1TDO2
SCHEMBL1132838 0.88 CHRM2 (0.41) CA1CA2ACHEIDO1TDO2
SCHEMBL1133387 0.88 CHRM2 (0.41) CA1CA2ACHEIDO1TDO2
SCHEMBL11886558 0.81 SMN1; SMN2 (0.48) OPRM1OPRD1OPRK1OPRL1CHRM2
SCHEMBL4780594 0.80 ADRA1A (0.39) ADRA1AALDH1A1DRD2DRD3
SCHEMBL11886645 0.77 KDM4E (0.49) CA1CA2CA12CA4CA7
SCHEMBL13553399 0.76 KDM4E (0.51) CA1CA2CA12CA4CA7
SCHEMBL13553415 0.75 CHRM2 (0.44) OPRM1OPRD1OPRK1OPRL1CHRM2
SCHEMBL12251141 0.75 KCNA3 (0.40) ALDH1A1
SCHEMBL12303925 0.75 KMT2A (0.40) OPRM1OPRD1OPRK1OPRL1ALDH1A1

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-8293715-B2 10a-Azalide compound crosslinked at 10a- and 12-positions TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-10-23 US disclosed
US-20110237784-A1 10A-AZALIDE COMPOUND CROSSLINKED AT 10A- AND 12-POSITIONS TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-09-29 US disclosed
EP-2177526-A1 10A-AZALIDE COMPOUND CROSSLINKED AT POSITION-10A AND POSITION-12 Taisho Pharmaceutical Co. Ltd. (JP) 2010-04-21 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-20110237784-A1 10A-AZALIDE COMPOUND CROSSLINKED AT 10A- AND 12-POSITIONS DCLRE1A, AZI2, CHD9 CA1 4385/4885CA2 4764/4885ACHE 2066/4885

“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.