SCHEMBL2446498

SCHEMBL2446498

O=C1c2ccccc2OC2(CCNCC2)CN1Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.49
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 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
SCHEMBL3505519 0.88 SIGMAR1 (0.42) SIGMAR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL2452352 0.83 OPRD1 (0.44) SIGMAR1OPRD1KCNH2CYP2D6OPRK1
SCHEMBL1096019 0.82 TACR2 (0.48) SIGMAR1MEN1KMT2AALDH1A1CYP2C9
SCHEMBL2452284 0.80 SIGMAR1 (0.55) SIGMAR1KMT2ATSHRKCNH2CYP2D6
SCHEMBL3509723 0.79 OPRD1 (0.39) SIGMAR1ALDH1A1OPRD1KCNH2CYP2D6
SCHEMBL2452252 0.78 OPRD1 (0.39) MEN1KMT2AALDH1A1HIF1AOPRD1
SCHEMBL2453500 0.78 SIGMAR1 (0.53) SIGMAR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL2449451 0.77 SIGMAR1 (0.52) SIGMAR1KCNH2TACR2TACR1OPRM1
SCHEMBL735638 0.77 SIGMAR1 (0.52) SIGMAR1MEN1KMT2AALDH1A1CYP2C9
SCHEMBL2449728 0.77 SIGMAR1 (0.48) SIGMAR1HDAC3HDAC4HDAC1HDAC7

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 4 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

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 225/4885HTT 1885/4885NPSR1 96/4885
US-20060229301-A1 Spiro-piperidine compounds and medicinal use thereof CCR1, CCR7, CCR3 SIGMAR1 225/4885HTT 1885/4885NPSR1 96/4885

“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.