SCHEMBL17755789

SCHEMBL17755789

CC[C@@H](CC(=O)Nc1ccccc1)c1noc(C2CCC2)c1C

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 18/20 0.42
▸ EPHX2 P34913 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HPGD P15428 1/20 0.38

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
SCHEMBL17755791 0.89 RORC (0.45) RORC
SCHEMBL17755785 0.87 HPGD (0.41) RORCEPHX2LMNAHPGD
SCHEMBL17755781 0.87 HPGD (0.41) RORCEPHX2LMNAHPGD
SCHEMBL17755779 0.82 LMNA (0.44) LMNAHPGD
SCHEMBL17755774 0.76 NPC1 (0.47) LMNAHPGD
SCHEMBL17755786 0.76 RORC (0.45) RORCLMNAHPGD
SCHEMBL17755778 0.73 LMNA (0.44) LMNAHPGD
SCHEMBL17755788 0.73 ALDH1A1 (0.41) EPHX2LMNAHPGD
SCHEMBL17755770 0.68 HPGD (0.49) LMNAHPGD
SCHEMBL17755766 0.68 HPGD (0.49) LMNAHPGD

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-20160137639-A1 TRIAZOLE-ISOXAZOLE COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2016-05-19 — — 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-20160137639-A1 TRIAZOLE-ISOXAZOLE COMPOUND AND MEDICAL USE THEREOF CYP3A7, CYP2C19, CYP3A5 RORC 233/4885EPHX2 3022/4885LMNA 4195/4885

“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.

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