SCHEMBL20809602

SCHEMBL20809602

CC(C)C(=O)OCCc1ccc[nH]1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.35
ALDH1A1 P00352 2/20 0.33
KAT8 Q9H7Z6 1/20 0.33
NPC1 O15118 1/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL20809633 0.83 GPR88 (0.31)
SCHEMBL11079192 0.83 ALDH1A1 (0.42) ALDH1A1KAT8SMN1; SMN2LMNA
SCHEMBL1269651 0.78 THRB (0.49) ALDH1A1KAT8
SCHEMBL23135892 0.73 ALDH1A1 (0.41) ALDH1A1LMNA
SCHEMBL7518065 0.72
SCHEMBL20809612 0.72 USP2 (0.44) ALDH1A1MEN1LMNAMAPTKMT2A
SCHEMBL20809601 0.72 HRH3 (0.54)
SCHEMBL11216376 0.72 MAOA (0.36) MAOA
SCHEMBL114275 0.72 HCAR2 (0.54) ALDH1A1NPC1SMN1; SMN2RAB9ALMNA
SCHEMBL13546077 0.72 CYP1A2 (0.40) MAOAKAT8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11046670-B2 Piperazinyl norbenzomorphan compounds and methods for using the same BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-06-29 US disclosed
US-20190077789-A1 PIPERAZINYL NORBENZOMORPHAN COMPOUNDS AND METHODS FOR USING THE SAME BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2019-03-14 US 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 (2 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-20190077789-A1 PIPERAZINYL NORBENZOMORPHAN COMPOUNDS AND METHODS FOR USING THE SAME GAP43, NCDN, NLN MAOA 2756/4885ALDH1A1 1985/4885KAT8 1299/4885
US-11046670-B2 Piperazinyl norbenzomorphan compounds and methods for using the same GAP43, NCDN, NLN MAOA 2756/4885ALDH1A1 1985/4885KAT8 1299/4885

“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.