SCHEMBL13139536

SCHEMBL13139536

CC(C)(C)OC(=O)Cn1ccc2ccc(NS(=O)(=O)c3cccc4ccccc34)cc21

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 8/20 0.64
▸ NTSR1 P30989 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ PFKFB3 Q16875 1/20 0.47
▸ TSHR P16473 1/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ NR1I2 O75469 1/20 0.45
▸ PGR P06401 1/20 0.43
▸ RORA P35398 1/20 0.43
▸ RORC P51449 1/20 0.43
▸ NR1H2 P55055 1/20 0.43
▸ NR1H4 Q96RI1 1/20 0.43
▸ HCRTR1 O43613 1/20 0.42
▸ BRD4 O60885 1/20 0.42
▸ CYP17A1 P05093 1/20 0.42

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
SCHEMBL3059970 0.86 HTR6 (0.68) HTR6NTSR1ALDH1A1HTTPFKFB3
SCHEMBL13139525 0.86 SLC22A12 (0.47) HTR6BRD4
SCHEMBL13139527 0.81 HTR6 (0.48) HTR6NTSR1TSHRHCRTR1
SCHEMBL27659405 0.81 HTR6 (0.70) HTR6NTSR1ALDH1A1HTTPFKFB3
SCHEMBL13139523 0.80 MEN1 (0.46) HTR6
SCHEMBL13139522 0.78 ALDH1A1 (0.42) HTR6ALDH1A1HTTTSHRPGR
SCHEMBL3157106 0.78 HTR6 (1.00) HTR6NTSR1
SCHEMBL4037350 0.75 HTR6 (1.00) HTR6NTSR1NR1I2
SCHEMBL27659408 0.75 HTR6 (0.61) HTR6NTSR1ALDH1A1HTTPFKFB3
SCHEMBL30229742 0.75 KMT2A (0.59) NTSR1ALDH1A1

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-8492559-B2 Substituted indole compounds GRUENENTHAL GMBH (DE) 2013-07-23 — — US disclosed
US-8492559-B2 Substituted indole compounds GRUENENTHAL GMBH (DE) 2013-07-23 — — US disclosed
US-20100222324-A1 Substituted Indole Compounds GRUENENTHAL GMBH (DE) 2010-09-02 — — US disclosed
US-20100222324-A1 Substituted Indole Compounds GRUENENTHAL GMBH (DE) 2010-09-02 — — 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-20100222324-A1 Substituted Indole Compounds BDKRB1, BDKRB2, EDNRB HTR6 103/4885NTSR1 23/4885ALDH1A1 1551/4885

“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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