SCHEMBL2454040

SCHEMBL2454040

CCCN1C(=O)N(CC2CCCCC2)C(=O)C12CCN(Cc1ccccc1OC)CC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 5/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP2D6 P10635 6/20 0.42
TSHR P16473 2/20 0.42
USP2 O75604 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MCHR1 Q99705 1/20 0.41
OPRM1 P35372 4/20 0.41
OPRK1 P41145 2/20 0.41
CXCR4 P61073 1/20 0.41
CCR5 P51681 1/20 0.41
ACHE P22303 1/20 0.40
GNAI3 P08754 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
SCHEMBL2449813 0.95 CCR5 (0.45) OPRL1MEN1KMT2ACYP2D6TSHR
SCHEMBL3506493 0.84 OPRM1 (0.45) OPRL1MEN1KMT2ACYP2D6MCHR1
SCHEMBL2446622 0.82 MCHR1 (0.50) OPRL1CYP2D6MCHR1OPRM1OPRK1
SCHEMBL3509549 0.81 SMN1; SMN2 (0.42) OPRL1MEN1KMT2ACHRM3SMN1; SMN2
SCHEMBL2455447 0.80 OPRL1 (0.41) OPRL1CYP2D6SMN1; SMN2MCHR1OPRM1
SCHEMBL2450107 0.79 CCR5 (0.47) OPRL1CYP2D6MCHR1OPRM1OPRK1
SCHEMBL3509351 0.79 CCR5 (0.58) OPRL1OPRM1OPRK1CXCR4CCR5
SCHEMBL2449343 0.79 HTR1A (0.50) MEN1KMT2ACYP2D6TSHRUSP2
SCHEMBL2452290 0.78 OPRL1 (0.45) OPRL1MEN1KMT2AMCHR1OPRM1
Hydrochloric Acid SCHEMBL3506507 0.77 CCR5 (0.66) CYP2D6CCR5

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 390/4885MEN1 2653/4885KMT2A 2880/4885
US-20060229301-A1 Spiro-piperidine compounds and medicinal use thereof CCR1, CCR7, CCR3 OPRL1 390/4885MEN1 2653/4885KMT2A 2880/4885

“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.