SCHEMBL2071226

SCHEMBL2071226

Cc1cc(C)c(-c2cn(C)c3nc(N4CCCCC4)n(C)c(=O)c23)c(C)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 9/20 1.00
ALDH1A1 P00352 6/20 0.43
KMT2A Q03164 1/20 0.41
TSHR P16473 3/20 0.40
NPSR1 Q6W5P4 2/20 0.39
LMNA P02545 4/20 0.38
MAPK1 P28482 2/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.35
HTT P42858 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
SCHEMBL2071923 0.99 CRHR1 (0.98) CRHR1ALDH1A1KMT2ATSHRNPSR1
SCHEMBL2070707 0.88 CRHR1 (0.79) CRHR1ALDH1A1TSHRLMNAMAPK1
SCHEMBL2070607 0.79 CRHR1 (0.65) CRHR1
SCHEMBL2073108 0.77 CRHR1 (0.63) CRHR1ALDH1A1MAPK1
SCHEMBL2072338 0.77 CRHR1 (0.62) CRHR1KMT2ATSHRMAPK1POLB
SCHEMBL2071874 0.77 CRHR1 (0.76) CRHR1ALDH1A1KMT2A
SCHEMBL23625456 0.75 CRHR1 (0.73) CRHR1
SCHEMBL2072641 0.75 CRHR1 (0.66) CRHR1ALDH1A1KMT2ATSHRLMNA
SCHEMBL2071172 0.74 CRHR1 (0.71) CRHR1
SCHEMBL2071954 0.74 CRHR1 (1.00) CRHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2522670-A1 Heterocyclic CRF receptor antagonists Takeda Pharmaceutical Company Limited (JP) 2012-11-14 EP disclosed
US-7897607-B2 Cyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-01 US disclosed
US-7897607-B2 Cyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-01 US disclosed
US-7897607-B2 Cyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-01 US disclosed
US-20070179165-A1 Cyclic compounds GYORKOS ALBERT C 2007-08-02 US disclosed
US-20070179165-A1 Cyclic compounds GYORKOS ALBERT C 2007-08-02 US disclosed
US-20070179165-A1 Cyclic compounds GYORKOS ALBERT C 2007-08-02 US 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-20070179165-A1 Cyclic compounds CRHR1, CRHR2, MC2R CRHR1 1/4885ALDH1A1 786/4885KMT2A 983/4885

“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.