SCHEMBL2455447

SCHEMBL2455447

CCCN1C(=O)N(CC2CCCCC2)C(=O)C12CCN(Cc1cccs1)CC2

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 7/20 0.41
OPRK1 P41145 5/20 0.41
OPRD1 P41143 1/20 0.41
OPRM1 P35372 5/20 0.40
CCR5 P51681 9/20 0.38
MCHR1 Q99705 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 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
SCHEMBL2446622 0.82 MCHR1 (0.50) OPRL1OPRK1OPRM1CCR5MCHR1
SCHEMBL2454040 0.80 OPRL1 (0.45) OPRL1OPRK1OPRM1CCR5MCHR1
SCHEMBL3509549 0.79 SMN1; SMN2 (0.42) OPRL1OPRK1OPRD1OPRM1CCR5
SCHEMBL3506332 0.79 CCR5 (0.59) OPRL1OPRK1OPRD1OPRM1CCR5
SCHEMBL3509351 0.78 CCR5 (0.58) OPRL1OPRK1OPRM1CCR5
SCHEMBL2452532 0.78 MCHR1 (0.56) OPRL1OPRK1OPRD1OPRM1CCR5
SCHEMBL3505727 0.76 CCR5 (0.61) OPRL1OPRK1OPRD1OPRM1CCR5
SCHEMBL3506493 0.76 OPRM1 (0.45) OPRL1OPRK1OPRD1OPRM1CCR5
SCHEMBL3506841 0.76 CCR5 (0.48) CCR5CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL3506507 0.75 CCR5 (0.66) CCR5CYP3A4CYP2D6CYP2C9

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 OPRL1 390/4885OPRK1 282/4885OPRD1 127/4885
US-20060229301-A1 Spiro-piperidine compounds and medicinal use thereof CCR1, CCR7, CCR3 OPRL1 390/4885OPRK1 282/4885OPRD1 127/4885

“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.