SCHEMBL2449653

SCHEMBL2449653

O=C1N(Cc2ccccc2)C(=O)C2(CCN(CCOCc3ccccc3)CC2)N1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.47
MCHR1 Q99705 4/20 0.46
HTR1A P08908 6/20 0.45
HTR7 P34969 6/20 0.45
HTR6 P50406 6/20 0.45
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
TEAD3 Q99594 1/20 0.41
NPSR1 Q6W5P4 1/20 0.39
HRH1 P35367 1/20 0.37
HRH4 Q9H3N8 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
OPRL1 P41146 1/20 0.37

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
SCHEMBL2450324 0.92 LTA4H (0.44) LTA4HMCHR1HTR1AHTR7HTR6
SCHEMBL2452525 0.90 HTR1A (0.48) LTA4HMCHR1HTR1AHTR7HTR6
SCHEMBL3507285 0.84 HTR1A (0.52) MCHR1HTR1AHTR7HTR6NPSR1
SCHEMBL3507206 0.83 MCHR1 (0.48) MCHR1HTR1AHTR7HTR6NPSR1
Hydrochloric Acid SCHEMBL2451822 0.83 MCHR1 (0.57) MCHR1HTR1AHTR7HTR6NPSR1
SCHEMBL12581221 0.82 CXCR3 (0.42) LTA4HMCHR1HTR1AHTR7HTR6
SCHEMBL2452797 0.82 HTR1A (0.53) MCHR1HTR1AHTR7HTR6MEN1
SCHEMBL2452554 0.82 HTR1A (0.50) MCHR1HTR1AHTR7HTR6NPSR1
SCHEMBL12581219 0.81 SIGMAR1 (0.52) MCHR1HTR1AHTR7HTR6MEN1
Hydrochloric Acid SCHEMBL2450041 0.81 HTR1A (0.52) MCHR1HTR1AHTR7HTR6NPSR1

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 LTA4H 393/4885MCHR1 1882/4885HTR1A 2467/4885
US-20060229301-A1 Spiro-piperidine compounds and medicinal use thereof CCR1, CCR7, CCR3 LTA4H 393/4885MCHR1 1882/4885HTR1A 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.