SCHEMBL2073716

SCHEMBL2073716

N#Cc1cccc(-c2ccc(C[C@@H](C#N)NC(=O)[C@@H]3CCCCN3OC(=O)C(F)(F)F)cn2)c1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSC P53634 16/20 0.48
HSD11B1 P28845 1/20 0.40
KCNH2 Q12809 4/20 0.39
CTSK P43235 2/20 0.39
CPT2 P23786 1/20 0.38
CPT1A P50416 1/20 0.38
CPT1B Q92523 1/20 0.38
F11 P03951 1/20 0.37
KLKB1 P03952 1/20 0.37
CYP11B1 P15538 1/20 0.37

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
SCHEMBL2072222 0.91 CTSC (0.51) CTSCKCNH2CTSK
SCHEMBL4243885 0.90 CTSC (0.60) CTSCKCNH2CTSK
SCHEMBL2075338 0.90 CTSC (0.60) CTSCKCNH2CTSK
SCHEMBL1498996 0.84 CPT2 (0.36) CTSCHSD11B1CPT2CPT1ACPT1B
SCHEMBL2072490 0.83 CTSC (0.49) CTSCKCNH2CTSK
SCHEMBL2075331 0.83 CTSC (0.56) CTSCKCNH2CTSK
SCHEMBL2073629 0.83 CTSC (0.35) CTSCKCNH2CTSK
SCHEMBL2072167 0.82 CTSC (0.46) CTSCKCNH2CTSK
SCHEMBL2075242 0.81 CTSC (0.56) CTSCKCNH2CTSK
SCHEMBL2075278 0.80 CTSC (0.47) CTSCKCNH2CTSK

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-20110201581-A1 Novel Compounds 010 ASTRAZENECA AB (SE) 2011-08-18 US claimed
US-7902181-B2 Compounds 010 ASTRAZENECA AB (SE) 2011-03-08 US claimed
US-20090306042-A1 Novel Compounds 010 ASTRAZENECA AB (SE) 2009-12-10 US claimed
US-20110201581-A1 Novel Compounds 010 ASTRAZENECA AB (SE) 2011-08-18 US disclosed
US-7902181-B2 Compounds 010 ASTRAZENECA AB (SE) 2011-03-08 US disclosed
US-20090306042-A1 Novel Compounds 010 ASTRAZENECA AB (SE) 2009-12-10 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 (2 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-20090306042-A1 Novel Compounds 010 MRGPRX2, F12, TBXA2R CTSC 3209/4885HSD11B1 594/4885KCNH2 2084/4885
US-20110201581-A1 Novel Compounds 010 MRGPRX2, F12, TBXA2R CTSC 3209/4885HSD11B1 594/4885KCNH2 2084/4885

“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.