SCHEMBL7539784

SCHEMBL7539784

CC(C)(C)OC(=O)NC(C)(C)C(=O)N(COCc1ccccc1)CC(=O)N1CCN2C(=O)N(CC(F)(F)F)C(=O)[C@@]2(Cc2ccccn2)C1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.32
RAB9A P51151 1/20 0.31
TACR1 P25103 1/20 0.31
ACHE P22303 1/20 0.31
SIGMAR1 Q99720 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
SCHEMBL5230927 0.83 GHSR (0.45) GHSR
SCHEMBL5228589 0.83 GHSR (0.45) GHSR
SCHEMBL5229201 0.80 GHSR (0.38) GHSRSIGMAR1
SCHEMBL5226491 0.79 ACHE (0.38) ACHE
SCHEMBL5228646 0.79 ACHE (0.38) ACHE
SCHEMBL6638381 0.76 GHSR (0.39) GHSRRAB9ATACR1
SCHEMBL6640209 0.76 GHSR (0.42) GHSRTACR1
SCHEMBL5228930 0.75 KDM4E (0.35) GHSR
SCHEMBL3840114 0.75 GHSR (0.55) GHSR
Hydrochloric Acid SCHEMBL7535223 0.75 GHSR (0.35) GHSRRAB9ATACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6429313-B2 Dipeptide derivatives PFIZER INC. 2002-08-06 US disclosed
US-20020065284-A1 Dipeptide derivatives CARPINO PHILIP ALBERT (US) 2002-05-30 US disclosed
US-20020002165-A1 Dipeptide derivatives CARPINO PHILIP ALBERT (US) 2002-01-03 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-20020002165-A1 Dipeptide derivatives GIPR, GHRHR, GHSR GHSR 3/4885RAB9A 4472/4885TACR1 218/4885
US-20020065284-A1 Dipeptide derivatives GIPR, GHRHR, GHSR GHSR 3/4885RAB9A 4472/4885TACR1 218/4885

“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.