SCHEMBL5729669

SCHEMBL5729669

COc1ccc(-c2c(C)nn3c(O)cc(C)nc23)c(OC)c1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 11/20 0.65
TSHR P16473 3/20 0.56
MAPT P10636 2/20 0.52
HSD17B10 Q99714 2/20 0.51
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CYP1A2 P05177 2/20 0.49
GRM8 O00222 1/20 0.49
CYP2C9 P11712 1/20 0.49
TACR1 P25103 1/20 0.49
GRM7 Q14831 1/20 0.49

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
SCHEMBL12888871 0.89 CRHR1 (0.63) CRHR1
SCHEMBL14491024 0.87 CRHR1 (0.52) CRHR1TSHRMAPTHSD17B10KDM4E
SCHEMBL14350129 0.87 TSHR (0.55) CRHR1TSHRMAPTHSD17B10KDM4E
SCHEMBL1237773 0.85 CRHR1 (0.65) CRHR1TSHRMAPTHSD17B10KDM4E
SCHEMBL5447883 0.81 CRHR1 (0.86) CRHR1
SCHEMBL14491028 0.81 CRHR1 (0.86) CRHR1
SCHEMBL13310496 0.80 TSHR (0.51) CRHR1TSHRMAPTHSD17B10KDM4E
SCHEMBL14502126 0.79 CRHR1 (0.48) CRHR1TSHRMAPTHSD17B10KDM4E
SCHEMBL5729460 0.78 CRHR1 (0.69) CRHR1MAPTHSD17B10KDM4EMAPK1
SCHEMBL12019824 0.78 KDM4E (0.78) CRHR1MAPTHSD17B10KDM4EMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070129382-A1 Crf receptor antagonists, their preparations, their pharmaceutical composition, and their uses SB PHARMCO PUERTO RICO (PR) 2007-06-07 US disclosed
US-20070129382-A1 Crf receptor antagonists, their preparations, their pharmaceutical composition, and their uses SB PHARMCO PUERTO RICO (PR) 2007-06-07 US disclosed
EP-1218381-B1 AMINO SUBSTITUTED PYRAZOLO¬1,5-a|-1,5-PYRIMIDINES AND PYRAZOLO¬1,5-a|-1,3,5-TRIAZINES NEUROGEN CORP (US) 2006-12-06 EP disclosed
US-6476038-B1 Amino substituted pyrazolo[1,5,-a]-1,5-pyrimidines and pyrazolo[1,5-a]-1,3,5-triazines NEUROGEN CORPORATION 2002-11-05 US disclosed
EP-1218381-A2 AMINO SUBSTITUTED PYRAZOLO 1,5,-a]-1,5-PYRIMIDINES AND PYRAZOLO 1,5-a]-1,3,5-TRIAZINES NEUROGEN CORPORATION (US) 2002-07-03 EP disclosed
WO-2001023388-A2 AMINO SUBSTITUTED PYRAZOLO[1,5,-a]-1,5-PYRIMIDINES AND PYRAZOLO[1,5-a]-1,3,5-TRIAZINES NEUROGEN CORPORATION (US) 2001-04-05 WO 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 (1 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-20070129382-A1 Crf receptor antagonists, their preparations, their pharmaceutical composition, and their uses CRH, CRHR1, CRHR2 CRHR1 2/4885TSHR 183/4885MAPT 1666/4885

“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.