SCHEMBL2452290

SCHEMBL2452290

COc1cc(OC)c(CN2CCC3(CC2)C(=O)N(CC2CCCCC2)C(=O)N3CCc2ccccc2)c(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 7/20 0.45
OPRM1 P35372 6/20 0.43
MCHR1 Q99705 2/20 0.43
CCR8 P51685 1/20 0.43
OPRK1 P41145 3/20 0.42
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GAA P10253 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CCR5 P51681 4/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38

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
Hydrochloric Acid SCHEMBL2452777 0.99 OPRL1 (0.44) OPRL1OPRM1MCHR1CCR8OPRK1
Hydrochloric Acid SCHEMBL2453483 0.97 CCR8 (0.43) OPRL1OPRM1MCHR1CCR8OPRK1
SCHEMBL3506493 0.88 OPRM1 (0.45) OPRL1OPRM1MCHR1OPRK1ALDH1A1
SCHEMBL2454412 0.87 MEN1 (0.45) MCHR1CCR8ALDH1A1MEN1KMT2A
SCHEMBL2450107 0.86 CCR5 (0.47) OPRL1OPRM1MCHR1OPRK1CCR5
SCHEMBL2446499 0.86 MEN1 (0.44) MCHR1CCR8ALDH1A1MEN1KMT2A
SCHEMBL3508501 0.85 OPRM1 (0.46) OPRL1OPRM1MCHR1OPRK1ALDH1A1
SCHEMBL2453950 0.85 MEN1 (0.43) MCHR1CCR8ALDH1A1MEN1KMT2A
SCHEMBL2455037 0.85 CCR8 (0.45) OPRL1OPRM1MCHR1CCR8ALDH1A1
SCHEMBL2451615 0.84 ALDH1A1 (0.47) MCHR1CCR8ALDH1A1MEN1KMT2A

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

“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.