SCHEMBL2449728

SCHEMBL2449728

O=C1c2ccccc2OC2(CCN(C(=O)C3CCCC3)CC2)CN1Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.48
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TSHR P16473 1/20 0.45
ALDH1A1 P00352 5/20 0.41
MAPK1 P28482 1/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.41
EPHX2 P34913 3/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 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
SCHEMBL2452588 0.87 EPHX2 (0.55) SIGMAR1KDM4EEPHX2HDAC3HDAC4
SCHEMBL2453500 0.82 SIGMAR1 (0.53) SIGMAR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL4127734 0.78 EPHX2 (0.42) SIGMAR1EPHX2CYP2C9EPHX1SCN5A
SCHEMBL2446498 0.77 SIGMAR1 (0.49) SIGMAR1MEN1KMT2ATSHRALDH1A1
SCHEMBL3507123 0.76 CCR5 (0.44) SIGMAR1MEN1KMT2AALDH1A1KDM4E
SCHEMBL2452284 0.76 SIGMAR1 (0.55) SIGMAR1KMT2ATSHR
SCHEMBL2449451 0.73 SIGMAR1 (0.52) SIGMAR1
SCHEMBL2451634 0.73 EPHX2 (0.44) SIGMAR1EPHX2HDAC3HDAC4HDAC1
SCHEMBL2451492 0.72 SIGMAR1 (0.48) SIGMAR1KMT2ATSHR
SCHEMBL3506901 0.72 SMN1; SMN2 (0.45) SIGMAR1MEN1KMT2AALDH1A1EPHX2

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 SIGMAR1 225/4885MEN1 2653/4885KMT2A 2880/4885
US-20060229301-A1 Spiro-piperidine compounds and medicinal use thereof CCR1, CCR7, CCR3 SIGMAR1 225/4885MEN1 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.