SCHEMBL1920273

SCHEMBL1920273

O=C(O)NC1CCN(CCCO)C1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 4/20 0.40
HRH1 P35367 4/20 0.40
HTR7 P34969 3/20 0.40
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
LTA4H P09960 2/20 0.38
MC4R P32245 1/20 0.38
DRD2 P14416 2/20 0.37
SLC6A5 Q9Y345 1/20 0.37
DRD4 P21917 1/20 0.37
HTR4 Q13639 1/20 0.36
HTR1A P08908 1/20 0.35
HTR6 P50406 1/20 0.35
EPHX1 P07099 1/20 0.35
EPHX2 P34913 1/20 0.35

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
SCHEMBL1920984 0.90 MC4R (0.44) HRH2HRH1HTR7SIGMAR1LTA4H
SCHEMBL3462094 0.90 ADRA1D (0.47) ADRA1DADRA1AADRA1BSIGMAR1SLC6A5
SCHEMBL26619861 0.85 ADRA1D (0.38) HRH2HRH1HTR7ADRA1DADRA1A
SCHEMBL3821802 0.85 EPHX1 (0.49) HTR7LTA4HDRD2DRD4HTR1A
SCHEMBL27905538 0.81 SIGMAR1 (0.39) HTR7SIGMAR1LTA4HDRD2SLC6A5
SCHEMBL27924847 0.81 SIGMAR1 (0.39) HTR7SIGMAR1LTA4HDRD2SLC6A5
SCHEMBL16993049 0.80 KMT2A (0.43) SIGMAR1MC4R
SCHEMBL22654835 0.80 KMT2A (0.43) SIGMAR1MC4R
SCHEMBL1921058 0.79 KMT2A (0.47) ADRA1DADRA1AADRA1BSIGMAR1SLC6A5
SCHEMBL28806043 0.79 DRD2 (0.38) HTR7SIGMAR1LTA4HDRD2DRD4

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-8278341-B2 Analogs of indole-3-carbinol and their use as agents against infection SRI INTERNATIONAL (US) 2012-10-02 US disclosed
EP-2326327-A2 ANALOGS OF INDOLE-3-CARBINOL AND THEIR USE AS AGENTS AGAINST INFECTION SRI International (US) 2011-06-01 EP disclosed
WO-2010033198-A2 ANALOGS OF INDOLE-3-CARBINOL AND THEIR USE AS AGENTS AGAINST INFECTION SRI INTERNATIONAL (US) 2010-03-25 WO disclosed
US-20100069355-A1 Analogs of Indole-3-Carbinol and Their Use as Agents Against Infection UNITED STATES GOVERNMENT; DEFENSE THREAT REDUCTION AGENCY 2010-03-18 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-20100069355-A1 Analogs of Indole-3-Carbinol and Their Use as Agents Against Infection IDO1, IDO2, TDO2 HRH2 260/4885HRH1 417/4885HTR7 297/4885

“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.