SCHEMBL3506979

SCHEMBL3506979

O=C(OCc1ccccc1)N1CCC2(CC1)CN(CCc1ccccc1)C(=O)c1ccccc1O2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
SIGMAR1 Q99720 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 2/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HDAC1 Q13547 3/20 0.41
HDAC8 Q9BY41 3/20 0.41
HDAC6 Q9UBN7 3/20 0.41
HDAC3 O15379 2/20 0.41
HDAC4 P56524 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC10 Q969S8 2/20 0.41
HDAC11 Q96DB2 2/20 0.41
HDAC9 Q9UKV0 2/20 0.41

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
SCHEMBL3506534 0.91 KMT2A (0.47) KMT2AMEN1NPSR1SIGMAR1SMN1; SMN2
SCHEMBL2450080 0.87 HRH3 (0.42) KMT2AMEN1NPSR1SIGMAR1SMN1; SMN2
SCHEMBL3507123 0.84 CCR5 (0.44) KMT2AMEN1NPSR1SIGMAR1SMN1; SMN2
SCHEMBL2454627 0.84 KMT2A (0.46) KMT2AMEN1NPSR1SIGMAR1SMN1; SMN2
SCHEMBL467592 0.81 SIGMAR1 (0.64) KMT2AMEN1NPSR1SIGMAR1HDAC1
SCHEMBL3506901 0.81 SMN1; SMN2 (0.45) KMT2AMEN1NPSR1SIGMAR1SMN1; SMN2
SCHEMBL3505519 0.78 SIGMAR1 (0.42) KMT2ASIGMAR1HDAC1HDAC8HDAC6
SCHEMBL11367505 0.77 MEN1 (0.52) KMT2AMEN1NPSR1SMN1; SMN2NPC1
SCHEMBL2452349 0.77 SIGMAR1 (0.52) KMT2ASIGMAR1OPRM1KCNH2MAPT
SCHEMBL3216158 0.77 KMT2A (0.49) KMT2AMEN1NPSR1SIGMAR1SMN1; SMN2

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
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 KMT2A 2880/4885MEN1 2653/4885NPSR1 96/4885
US-20060229301-A1 Spiro-piperidine compounds and medicinal use thereof CCR1, CCR7, CCR3 KMT2A 2880/4885MEN1 2653/4885NPSR1 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.