SCHEMBL2449404

SCHEMBL2449404

CSCCCN1CCC2(CC1)C(=O)N(CC(C)C)C(=O)N2CCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 6/20 0.42
CXCR4 P61073 2/20 0.41
HTR1A P08908 1/20 0.39
HTR7 P34969 1/20 0.39
HTR6 P50406 1/20 0.39
SIGMAR1 Q99720 7/20 0.38
OPRM1 P35372 6/20 0.38
KCNH2 Q12809 4/20 0.38
MCHR1 Q99705 1/20 0.38

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
SCHEMBL2455310 0.90 HTR1A (0.48) HTR1AHTR7HTR6SIGMAR1OPRM1
SCHEMBL2447773 0.89 CCR5 (0.52) CCR5CXCR4SIGMAR1OPRM1KCNH2
SCHEMBL2481242 0.87 SIGMAR1 (0.43) CCR5CXCR4SIGMAR1OPRM1KCNH2
SCHEMBL3505476 0.84 LTA4H (0.41) CCR5CXCR4SIGMAR1OPRM1KCNH2
SCHEMBL2452554 0.82 HTR1A (0.50) HTR1AHTR7HTR6MCHR1
Hydrochloric Acid SCHEMBL3508366 0.82 CCR5 (0.61) CCR5CXCR4HTR1AHTR7HTR6
Hydrochloric Acid SCHEMBL2450041 0.81 HTR1A (0.52) CCR5HTR1AHTR7HTR6MCHR1
SCHEMBL2447782 0.79 HTR1A (0.49) CCR5CXCR4HTR1AHTR7HTR6
SCHEMBL2942975 0.79 SIGMAR1 (0.48) CCR5SIGMAR1OPRM1MCHR1
SCHEMBL2448662 0.79 MEN1 (0.46) CCR5SIGMAR1OPRM1MCHR1

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 16/4885HTR1A 2467/4885
US-20060229301-A1 Spiro-piperidine compounds and medicinal use thereof CCR1, CCR7, CCR3 CCR5 6/4885CXCR4 16/4885HTR1A 2467/4885

“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.