SCHEMBL20067006

SCHEMBL20067006

CC(C)(C)OC(=O)N1CC[C@@H]2CNCCC21

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 3/20 0.38
PARP1 P09874 1/20 0.38
GPR119 Q8TDV5 4/20 0.37
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL12319289 1.00 CCR5 (0.38) CCR5PARP1GPR119HSD17B10
SCHEMBL18693632 1.00 CCR5 (0.38) CCR5PARP1GPR119HSD17B10
SCHEMBL993785 1.00 CCR5 (0.38) CCR5PARP1GPR119HSD17B10
SCHEMBL8569713 0.89 HSD17B10 (0.43) PARP1HSD17B10
SCHEMBL30181867 0.89 HSD17B10 (0.43) PARP1HSD17B10
SCHEMBL1467690 0.88 NR1H2 (0.39) CCR5PARP1GPR119HSD17B10
SCHEMBL19549723 0.88 NR1H2 (0.39) CCR5PARP1GPR119HSD17B10
SCHEMBL19549724 0.88 NR1H2 (0.39) CCR5PARP1GPR119HSD17B10
SCHEMBL16763830 0.88 NR1H2 (0.39) CCR5PARP1GPR119HSD17B10
SCHEMBL1135308 0.88 GPR119 (0.39) CCR5GPR119HSD17B10

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-20180105522-A1 N-SULFONYLATED PYRAZOLO[3,4-b]PYRIDIN-6-CARBOXAMIDES AND METHOD OF USE GALAPAGOS SASU (FR) 2018-04-19 US disclosed
US-20180105522-A1 N-SULFONYLATED PYRAZOLO[3,4-b]PYRIDIN-6-CARBOXAMIDES AND METHOD OF USE GALAPAGOS SASU (FR) 2018-04-19 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-20180105522-A1 N-SULFONYLATED PYRAZOLO[3,4-b]PYRIDIN-6-CARBOXAMIDES AND METHOD OF USE CFTR, P2RY1, P2RX5 CCR5 268/4885PARP1 1967/4885GPR119 231/4885

“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.