SCHEMBL15466628

SCHEMBL15466628

Cc1nn2c(NC34CC5CC(CC(C5)C3)C4)c(-c3ccccc3)c(Cl)nc2c1-c1ccc(Cl)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 18/20 0.46
TP53 P04637 1/20 0.42
CNR1 P21554 1/20 0.40

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
SCHEMBL15466615 0.78 GABBR2 (0.42) CRHR1CNR1
SCHEMBL15466871 0.70 CRHR1 (0.55) CRHR1TP53
SCHEMBL15466426 0.70 CNR1 (0.51) CNR1
SCHEMBL15466706 0.65 ALDH1A1 (0.41) CRHR1CNR1
SCHEMBL12825930 0.65 CNR1 (0.43) CRHR1CNR1
SCHEMBL10275883 0.62 CRHR1 (0.43) CRHR1TP53
SCHEMBL10313483 0.62 CNR1 (0.41) CRHR1CNR1
SCHEMBL29520331 0.61 CRHR1 (0.46) CRHR1
SCHEMBL10313479 0.61 CRHR1 (0.52) CRHR1
SCHEMBL15020632 0.61 TP53 (0.79) CRHR1TP53

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
US-20140045779-A1 COMPOUNDS CONTAINING AN ALICYCLIE STRUCTURE AND ANTI-TUMOR APPLICATION XU LIFENG (US) 2014-02-13 US claimed
US-20140045779-A1 COMPOUNDS CONTAINING AN ALICYCLIE STRUCTURE AND ANTI-TUMOR APPLICATION XU LIFENG (US) 2014-02-13 US disclosed
US-20140045779-A1 COMPOUNDS CONTAINING AN ALICYCLIE STRUCTURE AND ANTI-TUMOR APPLICATION XU LIFENG (US) 2014-02-13 US disclosed
US-20140045779-A1 COMPOUNDS CONTAINING AN ALICYCLIE STRUCTURE AND ANTI-TUMOR APPLICATION XU LIFENG (US) 2014-02-13 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-20140045779-A1 COMPOUNDS CONTAINING AN ALICYCLIE STRUCTURE AND ANTI-TUMOR APPLICATION ALPI, SI, SLC5A11 CRHR1 4305/4885TP53 11/4885CNR1 4821/4885

“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.