SCHEMBL2471782

SCHEMBL2471782

COc1ccccc1N1CCN(c2c(C)c(C)c3c(c2C)C(=O)C(C)(C)O3)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.46
DRD2 P14416 3/20 0.45
DRD3 P35462 2/20 0.45
PTGS2 P35354 2/20 0.43
PTGS1 P23219 1/20 0.43
HPGD P15428 1/20 0.43
BRAF P15056 1/20 0.43
GAA P10253 3/20 0.43
LMNA P02545 1/20 0.43
AKR1C3 P42330 1/20 0.42
GLA P06280 1/20 0.41
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
ADRB1 P08588 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTR3A P46098 1/20 0.41
HTR6 P50406 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL2469911 0.81 GFER (0.40) MAPTPTGS2HPGDBRAFGAA
SCHEMBL661151 0.81 PIK3CA (0.35) MAPTHPGDGAALMNAALDH1A1
SCHEMBL658666 0.80 ALDH1A1 (0.44) MAPTDRD2BRAFGAALMNA
SCHEMBL659546 0.77 ALDH1A1 (0.42) MAPTBRAFGAALMNAAKR1C3
SCHEMBL2471703 0.77 CCR4 (0.42) MAPTBRAFGAALMNAAKR1C3
SCHEMBL660140 0.76 AKR1C3 (0.38) MAPTDRD2DRD3HPGDLMNA
SCHEMBL5345813 0.75 DRD2 (0.44) DRD2DRD3HPGDAKR1C3GLA
SCHEMBL658236 0.73 CCR4 (0.35) LMNAALDH1A1
SCHEMBL660814 0.73 PDE4A (0.36) MAPTGFERALDH1A1MEN1KMT2A
SCHEMBL2474227 0.72 AKR1C3 (0.40) MAPTDRD2GAALMNAAKR1C3

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 MAPT 494/4885DRD2 860/4885DRD3 1025/4885
US-20040167171-A1 Benzo-fused 5-membered hetrocycle compounds, process for preparation of the same, and use thereof CYP8B1, PARK7, OXER1 MAPT 1925/4885DRD2 967/4885DRD3 756/4885

“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.