SCHEMBL2449258

SCHEMBL2449258

[CH2]c1cnc(-c2ccccc2)[nH]1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 7/20 0.61
NPY5R Q15761 3/20 0.61
PIN1 Q13526 1/20 0.53
HPGDS O60760 8/20 0.52
RECQL P46063 1/20 0.47

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
SCHEMBL2174976 0.76 SCN2A (1.00) SCN2ANPY5RHPGDS
SCHEMBL7380282 0.76 SCN2A (0.63) SCN2ANPY5RPIN1HPGDSRECQL
SCHEMBL17283469 0.74 SCN2A (0.96) SCN2ANPY5RHPGDS
SCHEMBL11013182 0.74 SCN2A (0.61) SCN2ANPY5RPIN1HPGDSRECQL
SCHEMBL28542982 0.74 SCN2A (0.61) SCN2ANPY5RPIN1HPGDSRECQL
SCHEMBL5371995 0.74 SCN2A (0.61) SCN2ANPY5RPIN1HPGDSRECQL
SCHEMBL535044 0.74 SCN2A (0.61) SCN2ANPY5RPIN1HPGDSRECQL
SCHEMBL16090411 0.74 SCN2A (0.61) SCN2ANPY5RPIN1HPGDSRECQL
SCHEMBL236656 0.74 SCN2A (0.61) SCN2ANPY5RPIN1HPGDSRECQL
SCHEMBL10927029 0.74 SCN2A (0.61) SCN2ANPY5RPIN1HPGDSRECQL

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 9 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
EP-2233493-A1 Macrolides Pfizer Products Inc. (US) 2010-09-29 EP disclosed
EP-1836211-B1 MACROLIDES PFIZER PROD INC (US) 2010-03-03 EP disclosed
US-7498323-B2 Spiro-piperidine compounds and medicinal use thereof ONO PHARMACEUTICALS CO., LTD. (JP) 2009-03-03 US disclosed
US-20070155713-A1 Nitrogen-containing heterocyclic compounds and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-07-05 US disclosed
US-20060229301-A1 Spiro-piperidine compounds and medicinal use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2006-10-12 US disclosed
EP-1621540-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-02-01 EP 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 (3 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 SCN2A 540/4885NPY5R 4162/4885PIN1 249/4885
US-20060229301-A1 Spiro-piperidine compounds and medicinal use thereof CCR1, CCR7, CCR3 SCN2A 540/4885NPY5R 4162/4885PIN1 249/4885
US-20070155713-A1 Nitrogen-containing heterocyclic compounds and use thereof NNMT, HLA-DRB1, NNT SCN2A 2970/4885NPY5R 2803/4885PIN1 94/4885

“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.