SCHEMBL2472859

SCHEMBL2472859

COc1ccc(N2CCN(c3c(C)c(C)c4c(c3C)C(C3CCCCC3)C(C)(C)O4)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.41
THRB P10828 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 2/20 0.40
GFER P55789 1/20 0.40
CTSB P07858 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
ALDH1A1 P00352 3/20 0.37
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
GAA P10253 1/20 0.35
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35
HTR7 P34969 3/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
PKM P14618 1/20 0.35
RECQL P46063 1/20 0.35
HTR3E A5X5Y0 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
SCHEMBL656741 0.85 KMT2A (0.39) SLC18A3SMN1; SMN2MAPTGFERALDH1A1
SCHEMBL2471607 0.82 ALDH1A1 (0.40) SLC18A3THRBSMN1; SMN2MAPTGFER
SCHEMBL5355435 0.82 ALDH1A1 (0.40) SLC18A3THRBSMN1; SMN2MAPTGFER
SCHEMBL2469747 0.82 SLC18A3 (0.42) SLC18A3MAPTALDH1A1LMNAGAA
SCHEMBL5344095 0.81 ALDH1A1 (0.40) SLC18A3SMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL2473689 0.81 ALDH1A1 (0.38) SLC18A3THRBSMN1; SMN2MAPTALDH1A1
SCHEMBL657742 0.80 HTR3E (0.39) SLC18A3SMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL5344114 0.80 DRD2 (0.38) SLC18A3SMN1; SMN2MAPTGFERALDH1A1
SCHEMBL2472817 0.79 ALDH1A1 (0.43) SLC18A3THRBSMN1; SMN2MAPTGFER
SCHEMBL5345362 0.79 DRD2 (0.39) SLC18A3MAPTGFERALDH1A1LMNA

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 SLC18A3 517/4885THRB 1479/4885SMN1; SMN2 63/4885
US-20040167171-A1 Benzo-fused 5-membered hetrocycle compounds, process for preparation of the same, and use thereof CYP8B1, PARK7, OXER1 SLC18A3 1373/4885THRB 3132/4885SMN1; SMN2 175/4885

“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.