SCHEMBL5611990

SCHEMBL5611990

CC(C)(C)OC(=O)N[C@H]1CCCCCC=CCC[C@H](C(=O)O)NC(=O)[C@@H]2C[C@@H](OC(=O)N3Cc4ccccc4C3)CN2C1=O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ RAMP1 O60894 3/20 0.34
▸ CALCRL Q16602 3/20 0.34
▸ BACE1 P56817 2/20 0.33
▸ REN P00797 1/20 0.33
▸ NAMPT P43490 3/20 0.33
▸ ADRB3 P13945 1/20 0.32
▸ ADRA2B P18089 1/20 0.32
▸ ADRA2C P18825 1/20 0.32
▸ PDE4B Q07343 3/20 0.32
▸ DRD2 P14416 1/20 0.31
▸ MME P08473 1/20 0.31

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
SCHEMBL13886148 0.89 REN (0.33) RAMP1CALCRLBACE1RENNAMPT
SCHEMBL8278256 0.89 REN (0.33) RAMP1CALCRLBACE1RENNAMPT
SCHEMBL1685532 0.89 CYP3A4 (0.34) RAMP1CALCRLRENNAMPT
SCHEMBL8190835 0.85 REN (0.35) RAMP1CALCRLBACE1RENNAMPT
SCHEMBL13573774 0.85 REN (0.35) RAMP1CALCRLBACE1RENNAMPT
SCHEMBL26047191 0.85 REN (0.35) RAMP1CALCRLBACE1RENNAMPT
SCHEMBL8294160 0.85 DRD2 (0.35) RAMP1CALCRLRENNAMPTADRB3
SCHEMBL3799238 0.84 ADRB3 (0.46) RAMP1CALCRLBACE1RENNAMPT
SCHEMBL3799240 0.84 ADRB3 (0.46) RAMP1CALCRLBACE1RENNAMPT
SCHEMBL13818335 0.84 ADRB3 (0.46) RAMP1CALCRLBACE1RENNAMPT

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-20070054842-A1 Novel macrocyclic inhibitors of hepatitis C virus replication ARRAY BIOPHARMA, INC. 2007-03-08 — — 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-20070054842-A1 Novel macrocyclic inhibitors of hepatitis C virus replication EIF2AK2, HAVCR2, HCCS RAMP1 3904/4885CALCRL 3966/4885BACE1 4146/4885

“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.

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