SCHEMBL17865665

SCHEMBL17865665

CC(C)CCN(CCC(C)C)c1cc(Cl)cc2cc([C@@H]3CCCN3CC(=O)O)[nH]c12

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 9/20 0.34
SLC6A9 P48067 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
CCR4 P51679 1/20 0.30
LTA4H P09960 1/20 0.30
ITGB1 P05556 1/20 0.30
ITGA4 P13612 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
SCHEMBL17865667 1.00 HRH4 (0.34) HRH4SLC6A9TDP1CCR4LTA4H
SCHEMBL17865635 0.90 HRH4 (0.33) HRH4
SCHEMBL17865636 0.90 HRH4 (0.33) HRH4
SCHEMBL16525574 0.86 HRH4 (0.31) HRH4
SCHEMBL17865712 0.84 SPHK2 (0.30)
SCHEMBL16525581 0.75 SLC6A2 (0.32)
SCHEMBL17865540 0.72 HRH4 (0.49) HRH4
SCHEMBL17865532 0.66 HRH4 (0.47) HRH4
SCHEMBL17865559 0.58 HRH4 (0.50) HRH4
SCHEMBL27392991 0.57 CFB (0.37) TDP1LTA4H

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-10927097-B2 Indole compound as inhibitor of necrosis LG CHEM, LTD. (KR) 2021-02-23 US disclosed
EP-3037418-B1 INDOLE COMPOUND AS INHIBITOR OF NECROSIS LG CHEMICAL LTD (KR) 2019-10-02 EP disclosed
US-20160200709-A1 INDOLE COMPOUND AS INHIBITOR OF NECROSIS LG LIFE SCIENCES LTD. (KR) 2016-07-14 US disclosed
EP-3037418-A1 INDOLE COMPOUND AS INHIBITOR OF NECROSIS LG Life Sciences Ltd. (KR) 2016-06-29 EP 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-10927097-B2 Indole compound as inhibitor of necrosis IDO1, IDO2, TNF HRH4 633/4885SLC6A9 677/4885TDP1 2014/4885
US-20160200709-A1 INDOLE COMPOUND AS INHIBITOR OF NECROSIS IDO1, IDO2, TNF HRH4 739/4885SLC6A9 723/4885TDP1 1939/4885

“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.