SCHEMBL2447773

SCHEMBL2447773

CCCCN1CCC2(CC1)C(=O)N(CC(C)C)C(=O)N2CCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 13/20 0.52
CXCR4 P61073 2/20 0.52
MCHR1 Q99705 1/20 0.41
OPRM1 P35372 3/20 0.40
SIGMAR1 Q99720 3/20 0.40
KCNH2 Q12809 2/20 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
Hydrochloric Acid SCHEMBL3508366 0.92 CCR5 (0.61) CCR5CXCR4SIGMAR1
SCHEMBL2481242 0.89 SIGMAR1 (0.43) CCR5CXCR4MCHR1OPRM1SIGMAR1
SCHEMBL2449404 0.89 CCR5 (0.42) CCR5CXCR4MCHR1OPRM1SIGMAR1
SCHEMBL2447782 0.88 HTR1A (0.49) CCR5CXCR4MCHR1
SCHEMBL3505476 0.87 LTA4H (0.41) CCR5CXCR4MCHR1OPRM1SIGMAR1
SCHEMBL2450074 0.82 CCR5 (0.51) CCR5CXCR4OPRM1
SCHEMBL2451505 0.81 HTR1A (0.46) CCR5MCHR1OPRM1SIGMAR1KCNH2
SCHEMBL2942975 0.81 SIGMAR1 (0.48) CCR5MCHR1OPRM1SIGMAR1
SCHEMBL2448662 0.81 MEN1 (0.46) CCR5MCHR1OPRM1SIGMAR1
SCHEMBL2452541 0.81 CCR8 (0.47) CCR5MCHR1OPRM1SIGMAR1KCNH2

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 6/4885CXCR4 16/4885MCHR1 1882/4885
US-20060229301-A1 Spiro-piperidine compounds and medicinal use thereof CCR1, CCR7, CCR3 CCR5 6/4885CXCR4 16/4885MCHR1 1882/4885

“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.