SCHEMBL2476247

SCHEMBL2476247

Cc1c(C)c(N2CCN(c3ccc(C(F)(F)F)cc3)CC2)c(C)c2c1OC(C)(C)C2O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.39
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
HTR7 P34969 1/20 0.35
NOTUM Q6P988 1/20 0.34
PHGDH O43175 2/20 0.34
PPARD Q03181 2/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
MMP13 P45452 1/20 0.34
ME2 P23368 1/20 0.34
ME1 P48163 1/20 0.34
ME3 Q16798 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
SCHEMBL5355139 0.85 MAPT (0.37) MAPTSMN1; SMN2DRD2HTR7LMNA
SCHEMBL5348134 0.84 ALDH1A1 (0.40) AKR1C3CA12CA2CA9MAPT
SCHEMBL2469747 0.83 SLC18A3 (0.42) AKR1C3MAPTDRD2HTR7LMNA
SCHEMBL2471718 0.83 CA12 (0.36) AKR1C3CA12CA2CA9MAPT
SCHEMBL5344569 0.83 ALDH1A1 (0.39) AKR1C3CA12CA2CA9MAPT
SCHEMBL2474086 0.80 HTR1A (0.38) CA12CA2CA9MAPTHTR7
SCHEMBL2472891 0.78 CTSB (0.37) MAPTSMN1; SMN2HTR7SLC6A4
SCHEMBL5350943 0.76 KCNH2 (0.44) MAPTSMN1; SMN2DRD2HTR7
SCHEMBL2474227 0.74 AKR1C3 (0.40) AKR1C3CA12CA2CA9MAPT
SCHEMBL2475235 0.73 ABCB1 (0.42) DRD2DRD4LMNA

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 AKR1C3 344/4885CA12 2876/4885CA2 1823/4885
US-20040167171-A1 Benzo-fused 5-membered hetrocycle compounds, process for preparation of the same, and use thereof CYP8B1, PARK7, OXER1 AKR1C3 343/4885CA12 4476/4885CA2 3639/4885

“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.