SCHEMBL20320657

SCHEMBL20320657

C=Nc1ncc(C)cc1/C=C\C

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 2/20 0.31
CCR1 P32246 1/20 0.31
CCR5 P51681 1/20 0.31
CCR8 P51685 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 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
SCHEMBL18634102 0.75 NOS2 (0.35) NOS2CCR1CCR5CCR8NOS3
SCHEMBL21216438 0.73
SCHEMBL23732288 0.73 NOS2 (0.34) NOS2CCR1CCR5CCR8NOS3
SCHEMBL18760647 0.73 PLAU (0.33)
SCHEMBL25792605 0.72 NOS3 (0.46) NOS2CCR1CCR5CCR8NOS3
SCHEMBL19953987 0.71 NOS2 (0.31) NOS2CCR1CCR5CCR8NOS3
SCHEMBL20967588 0.70 CCR1 (0.50) CCR1CCR5CCR8
SCHEMBL13771122 0.69 NOS2 (0.31) NOS2CCR1CCR5CCR8NOS3
SCHEMBL14421997 0.69 NOS2 (0.31) NOS2CCR1CCR5CCR8NOS3
SCHEMBL24848485 0.69 SMN1; SMN2 (0.32) NOS2CCR1CCR5CCR8NOS3

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-10221135-B2 1,4-substituted piperidine derivatives 89BIO LTD (IL) 2019-03-05 US disclosed
US-20180179159-A1 1,4-SUBSTITUTED PIPERIDINE DERIVATIVES CEPHALON LLC 2018-06-28 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-10221135-B2 1,4-substituted piperidine derivatives FASN, CES1, CPT1A NOS2 462/4885CCR1 2639/4885CCR5 2780/4885
US-20180179159-A1 1,4-SUBSTITUTED PIPERIDINE DERIVATIVES FASN, CES1, CPT1A NOS2 444/4885CCR1 2696/4885CCR5 2650/4885

“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.