SCHEMBL2622476

SCHEMBL2622476

Cc1ncc(CCC(N)(CO)C(=O)O)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.47
HRH1 P35367 1/20 0.47
FDPS P14324 1/20 0.42
ARG1 P05089 2/20 0.36
ARG2 P78540 2/20 0.36
BRS3 P32247 1/20 0.33
BAZ2B Q9UIF8 1/20 0.33
POLB P06746 1/20 0.32
DGAT1 O75907 3/20 0.31
AGBL2 Q5U5Z8 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
THRB P10828 1/20 0.30
KMT2A Q03164 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
SCHEMBL13953203 0.76 HRH4 (0.44) HRH4HRH1FDPSBRS3BAZ2B
SCHEMBL13953202 0.76 ARG1 (0.38) ARG1ARG2MEN1ALDH1A1CYP1A2
SCHEMBL16705065 0.75 HRH4 (0.54) HRH4HRH1FDPSARG1ARG2
SCHEMBL14499112 0.74 HRH4 (0.42) HRH4HRH1FDPSBRS3DGAT1
SCHEMBL13953003 0.73 GPR84 (0.45) BRS3
SCHEMBL14499113 0.73 HRH4 (0.41) HRH4HRH1FDPSBRS3DGAT1
SCHEMBL13953244 0.72 ARG1 (0.36) ARG1ARG2MEN1KMT2A
SCHEMBL889024 0.71 HRH4 (0.55) HRH4HRH1FDPSCYP1A2
SCHEMBL889061 0.69
SCHEMBL2622475 0.69 S1PR1 (0.42) ARG1ARG2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158677-B2 Treatment of viral infections by modulation of host cell metabolic pathways THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2012-04-17 US disclosed
US-20090239830-A1 Treatment of viral infections by modulation of host cell metabolic pathways KADMON CORPORATION, LLC 2009-09-24 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-20090239830-A1 Treatment of viral infections by modulation of host cell metabolic pathways GOT2, MAVS, ME3 HRH4 1490/4885HRH1 1412/4885FDPS 584/4885

“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.