SCHEMBL22024596

SCHEMBL22024596

CCCCCC(C)(CCCCC)C1CCCCN1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 5/20 0.38
CCR1 P32246 1/20 0.38
CCR5 P51681 1/20 0.38
CXCR4 P61073 1/20 0.38
CYP1A2 P05177 1/20 0.35
SLC6A2 P23975 3/20 0.35
SLC6A4 P31645 3/20 0.35
SLC6A3 Q01959 3/20 0.35
PRCP P42785 1/20 0.33
CNR1 P21554 1/20 0.33
GNAO1 P09471 5/20 0.32
GNAI3 P08754 4/20 0.32
GNAI1 P63096 4/20 0.32

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
SCHEMBL21191705 0.98 CCR2 (0.37) CCR2CCR1CCR5CXCR4CYP1A2
SCHEMBL21191744 0.93 PRCP (0.40) CCR2CCR1CCR5CXCR4PRCP
SCHEMBL18823467 0.93 PRCP (0.40) CCR2CCR1CCR5CXCR4PRCP
SCHEMBL21743439 0.93 PRCP (0.40) CCR2CCR1CCR5CXCR4PRCP
SCHEMBL22020922 0.93 PRCP (0.40) CCR2CCR1CCR5CXCR4PRCP
SCHEMBL24449512 0.93 PRCP (0.40) CCR2CCR1CCR5CXCR4PRCP
SCHEMBL22024192 0.92 CCR2 (0.39) CCR2CCR1CCR5CXCR4CYP1A2
SCHEMBL22023884 0.91 CYP1A2 (0.34) CCR2CCR1CCR5CXCR4CYP1A2
SCHEMBL19627720 0.91 PRCP (0.39) CCR2CCR1CCR5CXCR4PRCP
SCHEMBL19627516 0.89 PRCP (0.35) CYP1A2PRCPGNAO1GNAI3GNAI1

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-11198693-B2 Functionalized heterocycles as antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2021-12-14 US disclosed
US-20200165249-A1 FUNCTIONALIZED HETEROCYCLES AS ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2020-05-28 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-11198693-B2 Functionalized heterocycles as antiviral agents HCCS, HAVCR2, HDGF CCR2 521/4885CCR1 543/4885CCR5 59/4885
US-20200165249-A1 FUNCTIONALIZED HETEROCYCLES AS ANTIVIRAL AGENTS HCCS, HAVCR2, HDGF CCR2 521/4885CCR1 543/4885CCR5 59/4885

“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.