SCHEMBL2451165

SCHEMBL2451165

CCCCN1C(=O)N(CC2CCCCC2)CC=CC12CCNCC2

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.34
CCR5 P51681 17/20 0.33
MMP1 P03956 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 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
SCHEMBL2452506 0.83 CCR5 (0.47) CCR5CYP3A4CYP2D6CYP2C9
SCHEMBL2449561 0.81 CCR5 (0.39) CCR5
SCHEMBL2456659 0.78 ROCK2 (0.38) ROCK2CCR5MMP1MMP3MMP9
SCHEMBL2451322 0.77 ROCK2 (0.37) ROCK2CCR5MMP1MMP3MMP9
SCHEMBL14381381 0.66 CCR5 (0.41) CCR5CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL5347097 0.65 CCR5 (0.42) CCR5CYP3A4CYP2D6CYP2C9
SCHEMBL3505956 0.64 CCR5 (0.50) CCR5CYP3A4CYP2D6CYP2C9
SCHEMBL6012736 0.64 CCR5 (0.61) CCR5CYP3A4CYP2D6CYP2C9
SCHEMBL14381400 0.64 CCR5 (0.61) CCR5CYP3A4CYP2D6CYP2C9
SCHEMBL5612320 0.64 CCR5 (0.61) CCR5CYP3A4CYP2D6CYP2C9

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 ROCK2 3776/4885CCR5 6/4885MMP1 795/4885
US-20060229301-A1 Spiro-piperidine compounds and medicinal use thereof CCR1, CCR7, CCR3 ROCK2 3776/4885CCR5 6/4885MMP1 795/4885

“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.