SCHEMBL5218976

SCHEMBL5218976

O=Cc1cc[c]cc1N1CCN(c2ncccn2)CC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.44
HTT P42858 1/20 0.44
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
SLC6A7 Q99884 5/20 0.38
ALDH1A1 P00352 3/20 0.38
TSHR P16473 2/20 0.38
KDM4E B2RXH2 3/20 0.38
CYP2C19 P33261 1/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
KMT2A Q03164 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
SCHEMBL8875926 0.80 GAA (0.58) GAAHTTLMNAMAPTCA12
SCHEMBL5215141 0.79 ALDH1A1 (0.44) GAAHTTLMNAMAPTSMN1; SMN2
SCHEMBL5218605 0.76 ADRB1 (0.39) LMNAALDH1A1TSHRKDM4ECYP2C19
SCHEMBL5216083 0.75 ALDH3A1 (0.40) GAAHTTLMNAMAPTALDH1A1
SCHEMBL17838638 0.70 MAPT (0.69) GAAHTTLMNAMAPTSMN1; SMN2
SCHEMBL6663539 0.68
SCHEMBL10498542 0.68 LMNA (0.70) GAAHTTLMNAMAPTSMN1; SMN2
SCHEMBL5217663 0.66 MAPT (0.48) LMNAMAPTSMN1; SMN2ALDH1A1TSHR
SCHEMBL7660354 0.66 MAPT (0.62) GAALMNAMAPTCA1CA2
SCHEMBL3897739 0.66 LMNA (0.57) GAAHTTLMNAMAPTSMN1; SMN2

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 GAA 293/4885HTT 4512/4885LMNA 454/4885
US-20040214843-A1 Spirotricyclic derivatives and their use as phosphodiesterase-7 inhibitors PDE3A, PDE12, PDE5A GAA 293/4885HTT 4512/4885LMNA 454/4885
US-20070049558-A1 New Spirotricyclic Derivatives and Their Use as Phosphodiesterase-7 Inhibitors PDE3A, PDE4A, PDE5A GAA 323/4885HTT 4610/4885LMNA 479/4885

“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.