SCHEMBL18930401

SCHEMBL18930401

CC(C)(C)CC(=O)N1CCC[C@H]1c1nc2cc([C@H]3CC[C@H](c4cc5nc([C@@H]6CCCN6C(=O)OC(C)(C)C)n(COCCS(C)(C)C)c5cc4F)N3c3ccc(C(C)(C)C)cc3)c(F)cc2n1COCCS(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
TP53 P04637 1/20 0.31
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
LMNA P02545 1/20 0.30
TSHR P16473 1/20 0.30
CREBBP Q92793 1/20 0.30

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
SCHEMBL18596107 0.95 TP53 (0.33) HCRTR1HCRTR2TP53NR1H2NR1H3
SCHEMBL18653132 0.95 TP53 (0.33) HCRTR1HCRTR2TP53NR1H2NR1H3
SCHEMBL18925913 0.92 LMNA (0.32) HCRTR1HCRTR2TP53LMNATSHR
SCHEMBL18930400 0.92 LMNA (0.32) HCRTR1HCRTR2TP53LMNATSHR
SCHEMBL20643784 0.90 ALOX5AP (0.32)
SCHEMBL12016861 0.87 TSHR (0.34) HCRTR1HCRTR2TP53LMNATSHR
SCHEMBL30554881 0.87 TSHR (0.34) HCRTR1HCRTR2TP53LMNATSHR
SCHEMBL30554879 0.87 TSHR (0.34) HCRTR1HCRTR2TP53LMNATSHR
SCHEMBL12705318 0.87 TSHR (0.34) HCRTR1HCRTR2TP53LMNATSHR
SCHEMBL16404054 0.82 ALOX5AP (0.31) TP53LMNATSHRCREBBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20170157104-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS HCRTR1 4113/4885HCRTR2 4609/4885TP53 996/4885

“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.