SCHEMBL5834736

SCHEMBL5834736

CC(C)COC(=O)NC1(C(=O)OC(C)(C)C)CCc2ccccc2C1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 3/20 0.60
DRD2 P14416 1/20 0.39
AAK1 Q2M2I8 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
CXCR5 P32302 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL5836521 0.89 GHSR (0.64) GHSRDRD2SMN1; SMN2CXCR5ALDH1A1
SCHEMBL5835274 0.88 GHSR (0.65) GHSRDRD2CXCR5ALDH1A1KDM4E
SCHEMBL5835047 0.85 GHSR (0.46) GHSRDRD2SMN1; SMN2ALDH1A1TSHR
SCHEMBL5196233 0.80 GHSR (0.61) GHSRDRD2
SCHEMBL18614234 0.78 GHSR (0.63) GHSRDRD2CXCR5
SCHEMBL2813574 0.78 GHSR (0.63) GHSRDRD2CXCR5
SCHEMBL29715495 0.78 GHSR (0.63) GHSRDRD2CXCR5
SCHEMBL5835049 0.75 GHSR (0.46) GHSRDRD2SMN1; SMN2ALDH1A1TSHR
SCHEMBL5835834 0.75 GHSR (0.54) GHSRDRD2CXCR5KDM4E
SCHEMBL5835139 0.75 GHSR (1.00) GHSRSMN1; SMN2ALDH1A1

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-7115767-B2 Tetraline derivatives as ghrelin receptor modulators ABBOTT LABORATORIES (US) 2006-10-03 US disclosed
US-20050014794-A1 Tetraline derivatives as ghrelin receptor modulators ABBVIE INC. 2005-01-20 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-20050014794-A1 Tetraline derivatives as ghrelin receptor modulators GPR119, GHSR, GIPR GHSR 2/4885DRD2 3220/4885AAK1 235/4885

“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.