SCHEMBL2474086

SCHEMBL2474086

COc1ccc(N2CCN(c3c(C)c(C)c4c(c3C)C(c3ccc(C(F)(F)F)cc3)C(C)(C)O4)CC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.38
SLC6A4 P31645 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
HTR7 P34969 1/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 2/20 0.37
THRB P10828 1/20 0.37
HTT P42858 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CCR3 P51677 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HSD11B1 P28845 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NOX4 Q9NPH5 1/20 0.34
MDM2 Q00987 1/20 0.34
CA12 O43570 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
GAA P10253 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
SCHEMBL2473689 0.92 ALDH1A1 (0.38) HTR7MAPTLMNATHRBHTT
SCHEMBL2473354 0.91 KCNH2 (0.35) HTR7MAPTLMNATHRBHTT
SCHEMBL2471718 0.90 CA12 (0.36) HRH3HTR7MAPTHSD11B1CA12
SCHEMBL2472850 0.89 L3MBTL1 (0.39) MAPTLMNAL3MBTL1ALDH1A1HSD11B1
SCHEMBL2472828 0.89 GFER (0.39) HTR7MAPTLMNATP53HTT
SCHEMBL2471507 0.87 MAPT (0.40) MAPTLMNATP53HTTL3MBTL1
SCHEMBL2470586 0.87 PTGS1 (0.43) MAPTLMNAL3MBTL1ALDH1A1HSD11B1
SCHEMBL2472440 0.86 HTR1A (0.40) HTR1AMAPTLMNATP53THRB
SCHEMBL5340946 0.85 GFER (0.39) HTR7MAPTLMNATP53HTT
SCHEMBL5340206 0.83 MAPT (0.35) HTR7MAPTLMNAL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070149558-A1 Benzo-fused 5-membered heterocyclic compounds, their production and use OHKAWA SHIGENORI 2007-06-28 US claimed
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 claimed
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 claimed
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 claimed
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-20070149558-A1 Benzo-fused 5-membered heterocyclic compounds, their production and use OHKAWA SHIGENORI 2007-06-28 US 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-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 HTR1A 514/4885SLC6A4 474/4885HRH3 219/4885
US-20040167171-A1 Benzo-fused 5-membered hetrocycle compounds, process for preparation of the same, and use thereof CYP8B1, PARK7, OXER1 HTR1A 314/4885SLC6A4 1204/4885HRH3 332/4885

“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.