SCHEMBL5208719

SCHEMBL5208719

Cc1cc(C)c(-c2nccc3c(O)cc(C)nc23)c(C)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 8/20 0.35
KMT2A Q03164 2/20 0.35
OPRK1 P41145 1/20 0.35
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
RAD52 P43351 1/20 0.34
BLM P54132 1/20 0.34
PAX8 Q06710 1/20 0.34
KDM4E B2RXH2 3/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
DHODH Q02127 1/20 0.32
SLC6A2 P23975 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 2/20 0.31
TP53 P04637 1/20 0.31
UHRF1 Q96T88 1/20 0.31
CHRM4 P08173 1/20 0.30
CCR1 P32246 1/20 0.30

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
SCHEMBL5209663 0.82 MAPT (0.44) CRHR1KMT2AOPRK1MEN1KDM4E
SCHEMBL5209037 0.77 OPRK1 (0.36) KMT2AOPRK1KDM4ESLC6A2HTT
SCHEMBL6306407 0.75 CRHR1 (0.60) CRHR1KMT2AOPRK1MEN1KDM4E
SCHEMBL5210888 0.72 CRHR1 (0.48) CRHR1KMT2AMEN1NPC1
SCHEMBL3799140 0.71 OPRK1 (0.50) KMT2AOPRK1POLBKDM4ENPC1
SCHEMBL17361074 0.69 OPRK1 (0.48) KMT2AOPRK1POLBKDM4ENPC1
SCHEMBL5826570 0.68 ALDH1A1 (0.40) KMT2AMEN1POLBKDM4EPKM
SCHEMBL11941841 0.67 OPRK1 (0.52) KMT2AOPRK1KDM4ENPC1GAA
SCHEMBL17505970 0.67 CCR1 (0.42) KMT2AOPRK1KDM4ENPC1PKM
SCHEMBL6215236 0.67 TP53 (0.54) KMT2AOPRK1MEN1POLBRAD52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1341793-B1 CRF RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES INC (US) 2007-01-17 EP disclosed
US-20040266799-A1 CRF receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. 2004-12-30 US disclosed
EP-1341793-A2 CRF RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO Neurocrine Biosciences, Inc. (US) 2003-09-10 EP disclosed
WO-2002040480-A2 CRF RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2002-05-23 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-20040266799-A1 CRF receptor antagonists and methods relating thereto CRHR1, CRH, CRHR2 CRHR1 1/4885KMT2A 4376/4885OPRK1 96/4885

“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.