SCHEMBL8815909

SCHEMBL8815909

COc1ccc2c(c1)CCN2Cc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
ADRB3 P13945 3/20 0.53
ADRB2 P07550 2/20 0.53
ADRB1 P08588 2/20 0.53
SIGMAR1 Q99720 5/20 0.51
ALDH1A1 P00352 1/20 0.51
GAA P10253 1/20 0.51
ALOX15 P16050 1/20 0.51
TSHR P16473 1/20 0.51
ACHE P22303 1/20 0.49
NOTUM Q6P988 1/20 0.49
MTNR1A P48039 1/20 0.48
CHRM2 P08172 1/20 0.48
HTR1A P08908 1/20 0.48
CHRM3 P20309 1/20 0.48
DRD4 P21917 1/20 0.48
ADRA1D P25100 1/20 0.48
HTR2C P28335 1/20 0.48
ADRA1A P35348 1/20 0.48

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
SCHEMBL12628333 0.87 HDAC1 (0.58) HDAC1HDAC6ADRB3ADRB2ADRB1
SCHEMBL12628340 0.86 HDAC1 (0.57) HDAC1HDAC6ADRB3ADRB2ADRB1
SCHEMBL11045005 0.85 HDAC1 (0.48) HDAC1HDAC6ADRB3ADRB2ADRB1
SCHEMBL22432716 0.84 HRH3 (0.60) ADRB3ADRB2ADRB1ACHE
Hydrochloric Acid SCHEMBL10636985 0.84 HDAC1 (0.47) HDAC1HDAC6ADRB3ADRB2ADRB1
SCHEMBL10636799 0.83 SCN5A (0.50) HDAC1HDAC6ADRB3ADRB2ADRB1
SCHEMBL3085320 0.82 GAA (0.70) SIGMAR1ALDH1A1GAAALOX15TSHR
SCHEMBL16494639 0.82 ACHE (0.62) HDAC1HDAC6ADRB3ADRB2ADRB1
SCHEMBL16494539 0.82 ACHE (0.59) HDAC1HDAC6ACHE
SCHEMBL16494249 0.82 ACHE (0.55) HDAC1HDAC6ALDH1A1ACHEMTNR1A

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
JP-9278752-A None JP disclosed
EP-2394990-A1 INDOLINE DERIVATIVES Kyoto University (JP) 2011-12-14 EP disclosed
US-20110294850-A1 INDOLINE DERIVATIVES TOKYO INSTITUTE OF TECHNOLOGY (JP) 2011-12-01 US disclosed
JP-H09278752-A PRODUCTION OF 5-METHOXYINDOLINE DERIVATIVE IHARA CHEM IND CO LTD 1997-10-28 JP 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-20110294850-A1 INDOLINE DERIVATIVES BCHE, ACHE, INMT HDAC1 154/4885HDAC6 472/4885ADRB3 53/4885

“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.