SCHEMBL2453950

SCHEMBL2453950

CCCCN1C(=O)N(CCc2ccccc2)C2(CCN(Cc3c(OC)cc(OC)cc3OC)CC2)C1=O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 2/20 0.43
CCR8 P51685 1/20 0.43
MCHR1 Q99705 3/20 0.43
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
ABCC1 P33527 1/20 0.39
CCR5 P51681 4/20 0.38
HTR1A P08908 2/20 0.38
HTR7 P34969 2/20 0.38
HTR6 P50406 2/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SOAT1 P35610 1/20 0.38
CYP3A4 P08684 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
SCHEMBL2452571 0.97 MEN1 (0.42) MEN1KMT2AALDH1A1CCR8MCHR1
SCHEMBL2446499 0.95 MEN1 (0.44) MEN1KMT2AALDH1A1CCR8MCHR1
SCHEMBL2454412 0.92 MEN1 (0.45) MEN1KMT2AALDH1A1CCR8MCHR1
SCHEMBL3506121 0.88 CCR8 (0.42) MEN1KMT2AALDH1A1CCR8MCHR1
SCHEMBL2448422 0.88 CCR8 (0.42) MEN1KMT2AALDH1A1CCR8MCHR1
SCHEMBL2455037 0.88 CCR8 (0.45) MEN1KMT2AALDH1A1CCR8MCHR1
SCHEMBL2451615 0.87 ALDH1A1 (0.47) MEN1KMT2AALDH1A1CCR8MCHR1
Hydrochloric Acid SCHEMBL2481203 0.87 CCR8 (0.44) MEN1KMT2AALDH1A1CCR8MCHR1
SCHEMBL3509633 0.86 CCR8 (0.42) MEN1KMT2AALDH1A1CCR8MCHR1
SCHEMBL2481396 0.86 CCR8 (0.42) MEN1KMT2AALDH1A1CCR8MCHR1

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 MEN1 2653/4885KMT2A 2880/4885ALDH1A1 214/4885
US-20060229301-A1 Spiro-piperidine compounds and medicinal use thereof CCR1, CCR7, CCR3 MEN1 2653/4885KMT2A 2880/4885ALDH1A1 214/4885

“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.