SCHEMBL2450324

SCHEMBL2450324

O=C1N(Cc2ccccc2)C(=O)C2(CCN(CCOCc3ccccc3)CC2)N1CCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.44
MCHR1 Q99705 2/20 0.43
HTR1A P08908 5/20 0.43
HTR7 P34969 5/20 0.43
HTR6 P50406 5/20 0.43
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
SIGMAR1 Q99720 4/20 0.41
OPRM1 P35372 3/20 0.41
KCNH2 Q12809 2/20 0.41
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
TEAD3 Q99594 1/20 0.39
LMNA P02545 1/20 0.38
CHRM2 P08172 1/20 0.38
ADRA2A P08913 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 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
SCHEMBL2449653 0.92 LTA4H (0.47) LTA4HMCHR1HTR1AHTR7HTR6
SCHEMBL2452525 0.89 HTR1A (0.48) LTA4HMCHR1HTR1AHTR7HTR6
SCHEMBL3505476 0.88 LTA4H (0.41) LTA4HMCHR1SIGMAR1OPRM1KCNH2
SCHEMBL2448822 0.85 OPRL1 (0.46) LTA4HSIGMAR1OPRM1KCNH2
SCHEMBL2447782 0.85 HTR1A (0.49) MCHR1HTR1AHTR7HTR6ADRA1D
SCHEMBL2451505 0.84 HTR1A (0.46) MCHR1HTR1AHTR7HTR6ADRA1D
SCHEMBL2455310 0.83 HTR1A (0.48) MCHR1HTR1AHTR7HTR6ADRA1D
SCHEMBL2451825 0.83 HTR1A (0.50) MCHR1HTR1AHTR7HTR6ADRA1D
SCHEMBL12581221 0.81 CXCR3 (0.42) LTA4HMCHR1HTR1AHTR7HTR6
SCHEMBL12581219 0.81 SIGMAR1 (0.52) MCHR1HTR1AHTR7HTR6SIGMAR1

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.