SCHEMBL7450984

SCHEMBL7450984

CNC1(C(C)=O)CCc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC9 Q9UKV0 1/20 0.44
SIGMAR1 Q99720 2/20 0.40
HCAR2 Q8TDS4 1/20 0.39
KDM1A O60341 2/20 0.39
MAOB P27338 1/20 0.38
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TACR1 P25103 1/20 0.36
TACR3 P29371 1/20 0.36

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
SCHEMBL14537318 0.74 PIN1 (0.50) HDAC9SIGMAR1HCAR2KDM1AMAOB
SCHEMBL11294130 0.74 HDAC9 (0.44) HDAC9SIGMAR1HCAR2KDM1AMAOB
SCHEMBL15026087 0.74 PIN1 (0.50) HDAC9SIGMAR1HCAR2KDM1AMAOB
SCHEMBL7448215 0.72 KDM4E (0.44) HDAC9SIGMAR1HCAR2KDM1AMAOB
SCHEMBL2468652 0.72 KDM4E (0.44) HDAC9SIGMAR1HCAR2KDM1AMAOB
SCHEMBL8749372 0.72 HDAC9 (0.43) HDAC9HCAR2TDP1TACR1TACR3
SCHEMBL19361709 0.72 HDAC9 (0.40) HDAC9SIGMAR1HCAR2KDM1A
SCHEMBL6975129 0.72 KDM1A (0.42) HDAC9SIGMAR1KDM1AMAOB
SCHEMBL8054529 0.72 KDM1A (0.42) HDAC9SIGMAR1KDM1AMAOB
SCHEMBL13389061 0.71 KDM1A (0.42) HDAC9SIGMAR1HCAR2KDM1AMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3225627-A1 TRIPEPTIDE COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF Northwest University (CN) 2017-10-04 EP disclosed
US-20170267718-A1 TRIPEPTIDE COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF NORTHWEST UNIVERSITY (CN) 2017-09-21 US disclosed
EP-0738149-A4 1-AMINOINDAN DERIVATIVES AND COMPOSITIONS THEREOF TEVA PHARMA (IL) 1999-10-27 EP disclosed
EP-0738149-A1 1-AMINOINDAN DERIVATIVES AND COMPOSITIONS THEREOF TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1996-10-23 EP disclosed
WO-1995018617-A1 1-AMINOINDAN DERIVATIVES AND COMPOSITIONS THEREOF TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 1995-07-13 WO 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-20170267718-A1 TRIPEPTIDE COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF VIP, PREP, ACE HDAC9 1931/4885SIGMAR1 4765/4885HCAR2 1241/4885

“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.