SCHEMBL2452166

SCHEMBL2452166

CCCCN1C(=O)NC(=O)C12CCNCC2

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.36
CCR5 P51681 16/20 0.34
CYP3A4 P08684 1/20 0.34
CXCR4 P61073 2/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL4144093 0.82 HSD17B10 (0.36) HSD17B10
Hydrochloric Acid SCHEMBL31537337 0.81 HSD17B10 (0.35) HSD17B10
SCHEMBL5612301 0.78 CCR5 (0.48) CCR5CYP3A4CXCR4
SCHEMBL6034903 0.78 KMT2A (0.33) SMN1; SMN2CCR5
Hydrochloric Acid SCHEMBL6033764 0.77 CCR5 (0.32) SMN1; SMN2CCR5CYP3A4CXCR4
Hydrochloric Acid SCHEMBL3507345 0.76 GAA (0.40) CCR5CYP3A4CXCR4HSD17B10
SCHEMBL6012640 0.76 CCR5 (0.58) CCR5CYP3A4
SCHEMBL6012837 0.76 CCR5 (0.58) CCR5CYP3A4
SCHEMBL6012926 0.76 CCR5 (0.58) CCR5CYP3A4
SCHEMBL6013119 0.76 CCR5 (0.58) CCR5CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2364982-A1 Spiro-piperidine compounds as chemokine receptor antagonists and medicinal use thereof ONO Pharmaceutical Co., Ltd. (JP) 2011-09-14 EP disclosed
US-20100261641-A1 SPIRO-PIPERIDINE COMPOUNDS AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2010-10-14 US disclosed
US-7498323-B2 Spiro-piperidine compounds and medicinal use thereof ONO PHARMACEUTICALS CO., LTD. (JP) 2009-03-03 US disclosed
US-20060229301-A1 Spiro-piperidine compounds and medicinal use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2006-10-12 US disclosed
EP-1619193-A1 SPIROPIPERIDINE COMPOUND AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-01-25 EP 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-20100261641-A1 SPIRO-PIPERIDINE COMPOUNDS AND MEDICINAL USE THEREOF CCR1, CCR7, CCR3 SMN1; SMN2 3376/4885CCR5 6/4885CYP3A4 1005/4885
US-20060229301-A1 Spiro-piperidine compounds and medicinal use thereof CCR1, CCR7, CCR3 SMN1; SMN2 3376/4885CCR5 6/4885CYP3A4 1005/4885

“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.