SCHEMBL18930261

SCHEMBL18930261

CC(C)OC(=O)N1CCC[C@H]1c1nc2cc(-c3ccc(-c4cc5nc([C@@H]6CCCN6C(=O)OC(C)(C)C)n(COCCS(C)(C)C)c5cc4F)o3)c(F)cc2n1COCCS(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.35
LMNA P02545 3/20 0.35
GPR119 Q8TDV5 4/20 0.34
ALDH1A1 P00352 3/20 0.33
MAPT P10636 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
HCRTR2 O43614 2/20 0.32
TRPV1 Q8NER1 1/20 0.32
HCRTR1 O43613 1/20 0.32

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
SCHEMBL18596353 0.95 TSHR (0.37) TSHRLMNAGPR119ALDH1A1MAPT
SCHEMBL18930258 0.92 TSHR (0.35) TSHRLMNAALDH1A1MAPTNPSR1
SCHEMBL18930259 0.92 TSHR (0.35) TSHRLMNAALDH1A1MAPTNPSR1
SCHEMBL18925912 0.92 TSHR (0.35) TSHRLMNAALDH1A1MAPTNPSR1
SCHEMBL2756462 0.86 TSHR (0.38) TSHRLMNAALDH1A1MAPTNPSR1
SCHEMBL12705306 0.86 TSHR (0.38) TSHRLMNAALDH1A1MAPTNPSR1
SCHEMBL12016860 0.86 TSHR (0.38) TSHRLMNAALDH1A1MAPTNPSR1
SCHEMBL18596352 0.84 TSHR (0.37) TSHRLMNAGPR119ALDH1A1MAPT
SCHEMBL18596139 0.82 TP53 (0.34) TSHRLMNAGPR119ALDH1A1MAPT
SCHEMBL18653227 0.82 TP53 (0.34) TSHRLMNAGPR119ALDH1A1MAPT

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-10039754-B2 Anti-viral compounds ABBVIE INC. (US) 2018-08-07 US disclosed
US-20170157104-A1 Anti-Viral Compounds ABBVIE INC. (US) 2017-06-08 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-20170157104-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS TSHR 4834/4885LMNA 3118/4885GPR119 3832/4885
US-10039754-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS TSHR 4834/4885LMNA 3118/4885GPR119 3832/4885

“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.