SCHEMBL2452532

SCHEMBL2452532

CCCN1C(=O)N(CC2CCCCC2)C(=O)C12CCN(Cc1cccc(C#N)c1)CC2

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 9/20 0.56
OPRM1 P35372 3/20 0.44
OPRL1 P41146 3/20 0.44
TACR1 P25103 1/20 0.43
CHRM3 P20309 2/20 0.40
OPRK1 P41145 2/20 0.40
OPRD1 P41143 1/20 0.40
DRD4 P21917 1/20 0.39
CCR5 P51681 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
EBP Q15125 1/20 0.39

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
SCHEMBL2446622 0.82 MCHR1 (0.50) MCHR1OPRM1OPRL1OPRK1CCR5
SCHEMBL3506332 0.81 CCR5 (0.59) MCHR1OPRM1OPRL1CHRM3OPRK1
SCHEMBL3509351 0.78 CCR5 (0.58) OPRM1OPRL1OPRK1CCR5
SCHEMBL2455447 0.78 OPRL1 (0.41) MCHR1OPRM1OPRL1OPRK1OPRD1
SCHEMBL2454040 0.76 OPRL1 (0.45) MCHR1OPRM1OPRL1CHRM3OPRK1
SCHEMBL3506841 0.76 CCR5 (0.48) CCR5
SCHEMBL3509549 0.76 SMN1; SMN2 (0.42) MCHR1OPRM1OPRL1CHRM3OPRK1
Hydrochloric Acid SCHEMBL3506507 0.75 CCR5 (0.66) CCR5
SCHEMBL2450074 0.75 CCR5 (0.51) OPRM1OPRL1OPRK1CCR5
SCHEMBL3506493 0.74 OPRM1 (0.45) MCHR1OPRM1OPRL1OPRK1OPRD1

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 1882/4885OPRM1 436/4885OPRL1 390/4885
US-20060229301-A1 Spiro-piperidine compounds and medicinal use thereof CCR1, CCR7, CCR3 MCHR1 1882/4885OPRM1 436/4885OPRL1 390/4885

“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.