SCHEMBL22017416

SCHEMBL22017416

CC(C)c1ccc(I)c2c1CCCC2

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.30
GABRB1 P18505 1/20 0.30
GABRB2 P47870 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
SCHEMBL10209893 0.79 BCL2L1 (0.33)
SCHEMBL22016774 0.76 CNR1 (0.31)
SCHEMBL26379603 0.75 LMNA (0.41) GABRA1GABRB1GABRB2
SCHEMBL22016775 0.74 HTR2A (0.30)
SCHEMBL22016771 0.74 HTR2A (0.30)
SCHEMBL22016777 0.73
SCHEMBL26943121 0.73 RXRA (0.33)
SCHEMBL18417800 0.72 IDO1 (0.34)
SCHEMBL21872015 0.72 ADRA1A (0.46)
SCHEMBL15280190 0.71 NISCH (0.38) GABRA1GABRB1

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-11224600-B2 Compounds for inhibition of alpha 4 beta 7 integrin GILEAD SCIENCES, INC. (US) 2022-01-18 US disclosed
US-20200155563-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN GILEAD SCIENCES, INC. 2020-05-21 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 (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-20200155563-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN ITGB7, ITGB4, ITGA4 GABRA1 1419/4885GABRB1 896/4885GABRB2 1086/4885
US-11224600-B2 Compounds for inhibition of alpha 4 beta 7 integrin ITGB7, ITGB4, ITGA4 GABRA1 1419/4885GABRB1 896/4885GABRB2 1086/4885

“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.