SCHEMBL5222174

SCHEMBL5222174

COc1ccc(Cl)c(N)c1C1=CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SUV39H2 Q9H5I1 2/20 0.40
▸ CCNT1 O60563 1/20 0.36
▸ CDK9 P50750 1/20 0.36
▸ MAPT P10636 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ S1PR4 O95977 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ G6PD P11413 1/20 0.33
▸ S1PR1 P21453 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ CACNA1B Q00975 1/20 0.33
▸ APBA1 Q02410 1/20 0.33
▸ MCL1 Q07820 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ APOBEC3G Q9HC16 1/20 0.33
▸ TLR9 Q9NR96 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
SCHEMBL23132942 0.75 GAA (0.46) SUV39H2CCNT1CDK9MAPTHSP90AA1
SCHEMBL24038711 0.69 CYP3A4 (0.35) SUV39H2MAPTPIK3CDPIK3CAPIK3CB
SCHEMBL15507834 0.69 ALDH1A1 (0.54) SUV39H2CCNT1CDK9AAK1PIK3CD
SCHEMBL19175041 0.69 SUV39H2 (0.41) SUV39H2CCNT1CDK9HSP90AA1PIK3CD
SCHEMBL28686966 0.67 EP300 (0.44) SUV39H2CCNT1CDK9MAPTKDM4E
SCHEMBL31063652 0.66 AAK1 (0.45) SUV39H2CCNT1CDK9MAPTLMNA
SCHEMBL2848852 0.66 GAA (0.45) MAPTKDM4ES1PR4HSP90AA1G6PD
SCHEMBL19175170 0.65 SUV39H2 (0.39) SUV39H2CCNT1CDK9MAPTLMNA
SCHEMBL4574087 0.64 MAPK14 (0.46) SUV39H2KDM4EMAPK1KMT2APIK3CD
SCHEMBL31525680 0.64 CA2 (0.48) SUV39H2AAK1PIK3CDPIK3CAPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (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-20020198198-A1 Spirotricyclic derivatives and their use as phosphodiesterase-7 inhibitors PDE3A, PDE12, PDE5A SUV39H2 3188/4885CCNT1 2597/4885CDK9 1982/4885
US-20040214843-A1 Spirotricyclic derivatives and their use as phosphodiesterase-7 inhibitors PDE3A, PDE12, PDE5A SUV39H2 3188/4885CCNT1 2597/4885CDK9 1982/4885

“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.

Send feedback