SCHEMBL2449030

SCHEMBL2449030

CCCN1C(=O)N(Cc2ccccc2)C(=O)C12CCN(Cc1ccc(F)cc1)CC2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.54
CXCR3 P49682 1/20 0.51
HTR1A P08908 4/20 0.50
HTR7 P34969 4/20 0.50
HTR6 P50406 4/20 0.50
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CCR5 P51681 3/20 0.45
DRD2 P14416 4/20 0.44
SIGMAR1 Q99720 4/20 0.44
CCR3 P51677 1/20 0.44
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
GRIN3A Q8TCU5 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43

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
SCHEMBL2449380 0.90 CXCR3 (0.59) MCHR1CXCR3HTR1AHTR7HTR6
SCHEMBL3507206 0.85 MCHR1 (0.48) MCHR1CXCR3HTR1AHTR7HTR6
SCHEMBL2451918 0.84 CCR5 (0.50) MCHR1HTR1AHTR7HTR6CCR5
SCHEMBL2451505 0.84 HTR1A (0.46) MCHR1CXCR3HTR1AHTR7HTR6
Hydrochloric Acid SCHEMBL2451822 0.82 MCHR1 (0.57) MCHR1HTR1AHTR7HTR6CCR5
SCHEMBL3507285 0.81 HTR1A (0.52) MCHR1HTR1AHTR7HTR6CCR5
SCHEMBL8809939 0.81 MCHR1 (0.54) MCHR1HTR1AHTR7HTR6MEN1
SCHEMBL2447782 0.80 HTR1A (0.49) MCHR1HTR1AHTR7HTR6CCR5
SCHEMBL2449278 0.79 MCHR1 (0.42) MCHR1CXCR3HTR1AHTR7HTR6
SCHEMBL2449343 0.79 HTR1A (0.50) MCHR1HTR1AHTR7HTR6MEN1

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 MCHR1 1882/4885CXCR3 17/4885HTR1A 2467/4885
US-20060229301-A1 Spiro-piperidine compounds and medicinal use thereof CCR1, CCR7, CCR3 MCHR1 1882/4885CXCR3 17/4885HTR1A 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.