SCHEMBL2449006

SCHEMBL2449006

CCCCN1C2(CCN(Cc3ccccc3)CC2)CCN(CC2CCCCC2)S1(=O)=O

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 14/20 0.44
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP3A4 P08684 1/20 0.43
OPRM1 P35372 1/20 0.41
OPRK1 P41145 1/20 0.41
OPRL1 P41146 1/20 0.41
ABL1 P00519 1/20 0.40
RIN1 Q13671 1/20 0.40

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 0.77 CCR5 (0.50) CCR5CYP2D6CYP2C9CYP3A4OPRM1
SCHEMBL2453491 0.76 CCR5 (0.49) CCR5CYP2D6CYP2C9CYP3A4OPRM1
SCHEMBL2454027 0.73 CCR5 (0.48) CCR5CYP2D6CYP2C9CYP3A4OPRM1
SCHEMBL2449564 0.72 CCR5 (0.50) CCR5CYP2D6CYP2C9CYP3A4
SCHEMBL2456243 0.70 CCR5 (0.61) CCR5CYP2D6CYP2C9CYP3A4
SCHEMBL2452506 0.70 CCR5 (0.47) CCR5CYP2D6CYP2C9CYP3A4
SCHEMBL8176746 0.68 SIGMAR1 (0.62) OPRM1OPRK1OPRL1
SCHEMBL4471178 0.67 CCR5 (0.59) CCR5
SCHEMBL2450077 0.66 CCR5 (0.50) CCR5CYP2D6CYP2C9CYP3A4OPRM1
SCHEMBL2453256 0.65 CCR5 (0.52) CCR5CYP2D6CYP2C9CYP3A4

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 6/4885CYP2D6 778/4885CYP2C9 907/4885
US-20060229301-A1 Spiro-piperidine compounds and medicinal use thereof CCR1, CCR7, CCR3 CCR5 6/4885CYP2D6 778/4885CYP2C9 907/4885

“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.