SCHEMBL2472891

SCHEMBL2472891

COc1ccc(N2CCN(c3c(C)c(C)c4c(c3C)C(O)C(C)(C)O4)CC2)cc1OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSB P07858 2/20 0.37
CTSS P25774 2/20 0.37
CTSK P43235 2/20 0.37
DPP4 P27487 3/20 0.35
HTR7 P34969 1/20 0.35
HIF1A Q16665 4/20 0.35
GAA P10253 4/20 0.34
MAPK1 P28482 1/20 0.34
MAPT P10636 2/20 0.34
ATM Q13315 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33
SLC6A4 P31645 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
SCHEMBL2469747 0.86 SLC18A3 (0.42) HTR7GAAMAPTL3MBTL1POLB
SCHEMBL5350943 0.85 KCNH2 (0.44) HTR7MAPTSMN1; SMN2CYP3A4CYP2C19
SCHEMBL2470978 0.85 HIF1A (0.40) HIF1AL3MBTL1KCNH2
SCHEMBL5340867 0.85 ALDH1A1 (0.39) CTSBCTSSCTSKDPP4HTR7
SCHEMBL5343639 0.84 ALDH1A1 (0.38) CTSBCTSSCTSKDPP4HTR7
SCHEMBL2468468 0.84 DPP4 (0.44) CTSBCTSSCTSKDPP4HTR7
SCHEMBL5345813 0.82 DRD2 (0.44) CYP3A4CYP2C19
SCHEMBL5355139 0.81 MAPT (0.37) HTR7MAPTSMN1; SMN2POLBRAB9A
SCHEMBL659593 0.79 HTR7 (0.37) CTSBCTSSCTSKDPP4HTR7
SCHEMBL2476247 0.78 AKR1C3 (0.39) HTR7MAPTSMN1; SMN2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1411052-B1 BENZO-FUSED 5-MEMBERED HETROCYCLE COMPOUNDS,PROCESS FOR PREPARATION OF THE SAME, AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2011-10-05 EP disclosed
US-20070149558-A1 Benzo-fused 5-membered heterocyclic compounds, their production and use OHKAWA SHIGENORI 2007-06-28 US disclosed
US-7208495-B2 Benzo-fused 5-membered hetrocycle compounds, process for preparation of the same, and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-04-24 US disclosed
US-20040167171-A1 Benzo-fused 5-membered hetrocycle compounds, process for preparation of the same, and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-08-26 US disclosed
EP-1411052-A1 BENZO-FUSED 5-MEMBERED HETROCYCLE COMPOUNDS,PROCESS FOR PREPARATION OF THE SAME, AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2004-04-21 EP 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-20070149558-A1 Benzo-fused 5-membered heterocyclic compounds, their production and use CBR1, DBH, PARK7 CTSB 1488/4885CTSS 2391/4885CTSK 3753/4885
US-20040167171-A1 Benzo-fused 5-membered hetrocycle compounds, process for preparation of the same, and use thereof CYP8B1, PARK7, OXER1 CTSB 1104/4885CTSS 1357/4885CTSK 2343/4885

“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.