SCHEMBL5215141

SCHEMBL5215141

CN1CCN(c2c[c]ccc2C=O)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
ADRA2C P18825 1/20 0.38
TDP1 Q9NUW8 1/20 0.36
DRD2 P14416 3/20 0.36
DRD3 P35462 3/20 0.36
HTR1A P08908 1/20 0.36
DRD4 P21917 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
MAPT P10636 3/20 0.35
KDM4E B2RXH2 3/20 0.35
MAPK1 P28482 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
RECQL P46063 1/20 0.35
PTK2B Q14289 1/20 0.35
KMT2A Q03164 2/20 0.35
EGFR P00533 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL5218605 0.81 ADRB1 (0.39) ALDH1A1DRD2DRD3HTR1ADRD4
SCHEMBL5216083 0.80 ALDH3A1 (0.40) ALDH1A1MAPTGAAHTTKMT2A
SCHEMBL5218976 0.79 GAA (0.44) ALDH1A1MAPTKDM4ESMN1; SMN2GAA
SCHEMBL16463118 0.78 ADRA2C (0.43) ALDH1A1ADRA2CDRD2DRD3HTR1A
SCHEMBL3595550 0.77 DRD2 (0.55) ALDH1A1ADRA2CDRD2DRD3HTR1A
SCHEMBL414216 0.76 ADRA2C (0.55) ALDH1A1ADRA2CTDP1DRD2DRD3
SCHEMBL31376167 0.76 ADRA2C (0.55) ALDH1A1ADRA2CTDP1DRD2DRD3
SCHEMBL4173801 0.75 DRD2 (0.45) ALDH1A1ADRA2CDRD2DRD3HTR1A
Hydrochloric Acid SCHEMBL5154521 0.75 ADRA2C (0.53) ALDH1A1ADRA2CTDP1DRD2DRD3
SCHEMBL3584990 0.75 ALDH1A1 (0.47) ALDH1A1ADRA2CDRD2DRD3MAPT

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 ALDH1A1 594/4885ADRA2C 154/4885TDP1 137/4885
US-20040214843-A1 Spirotricyclic derivatives and their use as phosphodiesterase-7 inhibitors PDE3A, PDE12, PDE5A ALDH1A1 594/4885ADRA2C 154/4885TDP1 137/4885
US-20070049558-A1 New Spirotricyclic Derivatives and Their Use as Phosphodiesterase-7 Inhibitors PDE3A, PDE4A, PDE5A ALDH1A1 806/4885ADRA2C 128/4885TDP1 163/4885

“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.