SCHEMBL7790300

SCHEMBL7790300

Cn1c(-c2ccc(Cl)cc2)c(CC(O)CN2CCC(O)(Cc3ccccc3)CC2)c2cc(Cl)ccc21

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 19/20 0.65
GRIN2D O15399 1/20 0.52
GRIN3B O60391 1/20 0.52
ADRA1D P25100 1/20 0.52
ADRA1A P35348 1/20 0.52
ADRA1B P35368 1/20 0.52
GRIN1 Q05586 1/20 0.52
GRIN2A Q12879 1/20 0.52
GRIN2B Q13224 1/20 0.52
GRIN2C Q14957 1/20 0.52
GRIN3A Q8TCU5 1/20 0.52

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
SCHEMBL7801092 0.90 TACR1 (0.64) TACR1
Hydrochloric Acid SCHEMBL7790312 0.84 TACR1 (0.72) TACR1
SCHEMBL7790406 0.82 TACR1 (0.70) TACR1
SCHEMBL7796759 0.79 TACR1 (0.81) TACR1
SCHEMBL7573137 0.79 TACR1 (1.00) TACR1
SCHEMBL7789923 0.75 TACR1 (0.90) TACR1
SCHEMBL7796982 0.74 TACR1 (0.63) TACR1
SCHEMBL7801067 0.73 TACR1 (0.67) TACR1
SCHEMBL7797104 0.73 TACR1 (0.67) TACR1
SCHEMBL7797099 0.73 TACR1 (0.67) TACR1

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-20010039286-A1 2-aryl indole derivatives and their use as therapeutic agents DINNELL KEVIN (GB) 2001-11-08 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-20010039286-A1 2-aryl indole derivatives and their use as therapeutic agents IDO1, IDO2, CNR2 TACR1 1285/4885GRIN2D 158/4885GRIN3B 262/4885

“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.