SCHEMBL5216083

SCHEMBL5216083

O=Cc1cc[c]cc1N1CCN(CCN2CCOCC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH3A1 P30838 1/20 0.40
ALDH1A3 P47895 1/20 0.40
ALDH1A1 P00352 3/20 0.39
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
PRKDC P78527 1/20 0.36
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
ERN1 O75460 2/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
KDM1A O60341 1/20 0.34
MAPT P10636 1/20 0.34
LMNA P02545 1/20 0.34
HTR7 P34969 1/20 0.34
ACHE P22303 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
SCHEMBL5217663 0.84 MAPT (0.48) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL5215141 0.80 ALDH1A1 (0.44) ALDH1A1GAAHTTKMT2AMEN1
SCHEMBL5218976 0.75 GAA (0.44) ALDH1A1GAAHTTKMT2AMAPT
SCHEMBL5218605 0.74 ADRB1 (0.39) ALDH1A1LMNAHTR7
SCHEMBL1450381 0.68 ALDH1A1 (0.44) ALDH1A1GAAHTTKMT2AMEN1
SCHEMBL6223785 0.67 HRH3 (0.53) ALDH3A1ALDH1A3ALDH1A1PIK3CDPIK3CA
SCHEMBL1450344 0.67 KCNH2 (0.38) ALDH3A1ALDH1A1GAAHTTKMT2A
SCHEMBL136563 0.66 ALDH1A1 (0.55) ALDH3A1ALDH1A3ALDH1A1PIK3CDPIK3CA
SCHEMBL5363630 0.66 AKR1C3 (0.43) ALDH1A1PRKDCGAAHTTKMT2A
SCHEMBL29844497 0.66 ALDH1A1 (0.55) ALDH3A1ALDH1A3ALDH1A1PIK3CDPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1373224-B1 NEW SPIROTRICYCLIC DERIVATIVES AND THEIR USE AS PHOSPHODIESTERASE-7 INHIBITORS WARNER LAMBERT CO (US) 2007-07-18 EP disclosed
EP-1801106-A2 New spirotricyclic derivatives and their use as phosphodiesterase-7 inhibitors Warner-Lambert Company LLC (US) 2007-06-27 EP disclosed
US-7214676-B2 Spirotricyclic derivatives and their use as phosphodiesterase-7 inhibitors WARNER-LAMBERT COMPANY LLC (US) 2007-05-08 US disclosed
US-20070049558-A1 New Spirotricyclic Derivatives and Their Use as Phosphodiesterase-7 Inhibitors PFIZER INC. 2007-03-01 US disclosed
US-20040214843-A1 Spirotricyclic derivatives and their use as phosphodiesterase-7 inhibitors PFIZER INC 2004-10-28 US disclosed
EP-1373224-A1 NEW SPIROTRICYCLIC DERIVATIVES AND THEIR USE AS PHOSPHODIESTERASE-7 INHIBITORS Warner-Lambert Company LLC (US) 2004-01-02 EP disclosed
US-20020198198-A1 Spirotricyclic derivatives and their use as phosphodiesterase-7 inhibitors WARNER-LAMBERT COMPANY LLC 2002-12-26 US disclosed
WO-2002074754-A1 NEW SPIROTRICYCLIC DERIVATIVES AND THEIR USE AS PHOSPHODIESTERASE-7 INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-09-26 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 (3 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-20020198198-A1 Spirotricyclic derivatives and their use as phosphodiesterase-7 inhibitors PDE3A, PDE12, PDE5A ALDH3A1 512/4885ALDH1A3 1089/4885ALDH1A1 594/4885
US-20040214843-A1 Spirotricyclic derivatives and their use as phosphodiesterase-7 inhibitors PDE3A, PDE12, PDE5A ALDH3A1 512/4885ALDH1A3 1089/4885ALDH1A1 594/4885
US-20070049558-A1 New Spirotricyclic Derivatives and Their Use as Phosphodiesterase-7 Inhibitors PDE3A, PDE4A, PDE5A ALDH3A1 518/4885ALDH1A3 663/4885ALDH1A1 806/4885

“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.