SCHEMBL2456243

SCHEMBL2456243

CCCCN1C(=O)N(CC2CCCCC2)CCC12CCN(Cc1ccc(Oc3ccccc3)cc1)CC2

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 19/20 0.61
CYP2C9 P11712 5/20 0.61
CYP3A4 P08684 4/20 0.61
CYP2D6 P10635 3/20 0.61

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
SCHEMBL3505956 0.92 CCR5 (0.50) CCR5CYP2C9CYP3A4CYP2D6
SCHEMBL2453491 0.88 CCR5 (0.49) CCR5CYP2C9CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL3506507 0.83 CCR5 (0.66) CCR5CYP2C9CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL2449288 0.79 CCR5 (0.75) CCR5CYP2C9CYP3A4CYP2D6
SCHEMBL2450077 0.79 CCR5 (0.50) CCR5CYP2C9CYP3A4CYP2D6
SCHEMBL2454027 0.77 CCR5 (0.48) CCR5CYP2C9CYP3A4CYP2D6
SCHEMBL5350299 0.77 CCR5 (0.72) CCR5CYP2C9CYP3A4CYP2D6
SCHEMBL2452506 0.77 CCR5 (0.47) CCR5CYP2C9CYP3A4CYP2D6
SCHEMBL2451944 0.76 CCR5 (0.98) CCR5CYP2C9CYP3A4CYP2D6
SCHEMBL6012634 0.76 CCR5 (0.98) CCR5CYP2C9CYP3A4CYP2D6

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 CCR5 6/4885CYP2C9 907/4885CYP3A4 1005/4885
US-20060229301-A1 Spiro-piperidine compounds and medicinal use thereof CCR1, CCR7, CCR3 CCR5 6/4885CYP2C9 907/4885CYP3A4 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.