SCHEMBL2452541

SCHEMBL2452541

COc1cccc(OC)c1CN1CCC2(CC1)C(=O)N(CC(C)C)C(=O)N2CCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 1/20 0.47
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MCHR1 Q99705 2/20 0.40
ADRA1B P35368 2/20 0.39
HTR1A P08908 1/20 0.39
HTR7 P34969 1/20 0.39
HTR6 P50406 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
OPRM1 P35372 2/20 0.38
SIGMAR1 Q99720 1/20 0.38
KCNH2 Q12809 1/20 0.38
CCR5 P51681 6/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36

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
SCHEMBL2455037 0.92 CCR8 (0.45) CCR8MEN1KMT2AMCHR1HTR1A
Hydrochloric Acid SCHEMBL2481203 0.91 CCR8 (0.44) CCR8MEN1KMT2AMCHR1HTR1A
SCHEMBL2449927 0.86 CCR8 (0.52) CCR8MEN1KMT2AMCHR1ADRA1B
SCHEMBL2942975 0.86 SIGMAR1 (0.48) CCR8MEN1KMT2AMCHR1POLB
SCHEMBL2449271 0.85 KDM4E (0.54) CCR8MEN1KMT2ANPSR1MCHR1
SCHEMBL2481242 0.82 SIGMAR1 (0.43) MCHR1OPRM1SIGMAR1KCNH2CCR5
SCHEMBL2454412 0.81 MEN1 (0.45) CCR8MEN1KMT2ARAB9ANPSR1
SCHEMBL2446499 0.81 MEN1 (0.44) CCR8MEN1KMT2ARAB9ANPSR1
SCHEMBL2447773 0.81 CCR5 (0.52) MCHR1OPRM1SIGMAR1KCNH2CCR5
SCHEMBL2448662 0.80 MEN1 (0.46) MEN1KMT2ARAB9ANPSR1MCHR1

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 CCR8 11/4885MEN1 2653/4885KMT2A 2880/4885
US-20060229301-A1 Spiro-piperidine compounds and medicinal use thereof CCR1, CCR7, CCR3 CCR8 11/4885MEN1 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.