SCHEMBL2472963

SCHEMBL2472963

COc1ccc(N2CCN(c3c(C)c(C)c4c(c3C)C(N3CCC(c5ccccc5)CC3)C(C)(C)O4)CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.39
PTGS2 P35354 2/20 0.39
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
THRB P10828 1/20 0.37
MAPT P10636 3/20 0.36
HSD11B1 P28845 2/20 0.36
SLC18A3 Q16572 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KDM4E B2RXH2 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL5344095 0.86 ALDH1A1 (0.40) DRD2MAPTSLC18A3ALDH1A1KDM4E
SCHEMBL2473351 0.86 AKR1C3 (0.42) DRD2MAPTSLC18A3ALDH1A1KDM4E
SCHEMBL2471607 0.86 ALDH1A1 (0.40) DRD2THRBMAPTSLC18A3ALDH1A1
SCHEMBL5355435 0.86 ALDH1A1 (0.40) DRD2THRBMAPTSLC18A3ALDH1A1
SCHEMBL5350508 0.85 LMNA (0.39) DRD2MAPTSLC18A3ALDH1A1HSD17B10
SCHEMBL5351953 0.84 MAPT (0.45) PTGS1PTGS2DRD4MAPTALDH1A1
SCHEMBL2470586 0.84 PTGS1 (0.43) PTGS1PTGS2DRD2DRD4MAPT
SCHEMBL5346584 0.82 DRD2 (0.42) PTGS1PTGS2DRD2DRD4MAPT
SCHEMBL5349520 0.82 DRD3 (0.37) PTGS1PTGS2DRD2DRD4MAPT
SCHEMBL14492156 0.80 ALDH1A1 (0.43) MAPTSLC18A3ALDH1A1KDM4EL3MBTL1

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 9 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 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 PTGS1 292/4885PTGS2 537/4885DRD2 860/4885
US-20040167171-A1 Benzo-fused 5-membered hetrocycle compounds, process for preparation of the same, and use thereof CYP8B1, PARK7, OXER1 PTGS1 95/4885PTGS2 183/4885DRD2 967/4885

“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.