SCHEMBL2450107

SCHEMBL2450107

CCCCN1C(=O)N(CC2CCCCC2)C(=O)C12CCN(Cc1c(OC)cc(OC)cc1OC)CC2

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 15/20 0.47
OPRM1 P35372 3/20 0.44
OPRL1 P41146 3/20 0.43
OPRK1 P41145 1/20 0.42
MCHR1 Q99705 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL3506493 0.95 OPRM1 (0.45) CCR5OPRM1OPRL1OPRK1MCHR1
SCHEMBL2452290 0.86 OPRL1 (0.45) CCR5OPRM1OPRL1OPRK1MCHR1
Hydrochloric Acid SCHEMBL2452777 0.86 OPRL1 (0.44) CCR5OPRM1OPRL1OPRK1MCHR1
SCHEMBL2449813 0.84 CCR5 (0.45) CCR5OPRL1MCHR1CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL2453483 0.83 CCR8 (0.43) OPRM1OPRL1OPRK1MCHR1
SCHEMBL3508501 0.81 OPRM1 (0.46) OPRM1OPRL1OPRK1MCHR1
SCHEMBL2453950 0.79 MEN1 (0.43) CCR5MCHR1CYP3A4
SCHEMBL6012625 0.79 CCR5 (0.75) CCR5CYP3A4CYP2D6CYP2C9
SCHEMBL2454040 0.79 OPRL1 (0.45) CCR5OPRM1OPRL1OPRK1MCHR1
Hydrochloric Acid SCHEMBL5612439 0.78 CCR5 (0.77) 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 CCR5 6/4885OPRM1 436/4885OPRL1 390/4885
US-20060229301-A1 Spiro-piperidine compounds and medicinal use thereof CCR1, CCR7, CCR3 CCR5 6/4885OPRM1 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.