SCHEMBL6507897

SCHEMBL6507897

CC[C@@H](CN1C[C@@H](C)O[C@@H](C)C1)n1cc(C)c2nc(-c3ccc(OC(F)(F)F)cc3OC)c(C)cc21

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 9/20 0.41
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
ALOX12 P18054 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
CTSA P10619 1/20 0.31
TACR1 P25103 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL5778979 0.88 CRHR1 (0.43) CRHR1
SCHEMBL6080964 0.88 CRHR1 (0.44) CRHR1
SCHEMBL6080856 0.87 CRHR1 (0.43) CRHR1
SCHEMBL6081266 0.87 CRHR1 (0.43) CRHR1
SCHEMBL5442649 0.87 CRHR1 (0.38) CRHR1MEN1NPC1ALOX12RAB9A
SCHEMBL5778772 0.87 CRHR1 (0.49) CRHR1
SCHEMBL6082161 0.87 CRHR1 (0.42) CRHR1SMN1; SMN2
SCHEMBL5431322 0.87 CRHR1 (0.42) CRHR1
SCHEMBL6081770 0.85 CRHR1 (0.41) CRHR1TACR1
SCHEMBL5782147 0.84 CRHR1 (0.47) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050113379-A1 Heteroaryl fused pyridines, pyrazines and pyrimidines as CRF1 receptor ligands AVENTIS PHARMACEUTICALS, INC. 2005-05-26 US claimed
US-20050113379-A1 Heteroaryl fused pyridines, pyrazines and pyrimidines as CRF1 receptor ligands AVENTIS PHARMACEUTICALS, INC. 2005-05-26 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-20050113379-A1 Heteroaryl fused pyridines, pyrazines and pyrimidines as CRF1 receptor ligands CRHR1, CRHR2, HTR5A CRHR1 1/4885MEN1 2278/4885NPC1 1376/4885

“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.