SCHEMBL3506901

SCHEMBL3506901

O=C(OCc1ccccc1)N1CCC2(CC1)CN(C1CCCC1)C(=O)c1ccccc1O2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
ALDH1A1 P00352 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SIGMAR1 Q99720 6/20 0.41
TMEM97 Q5BJF2 5/20 0.41
HTR1A P08908 2/20 0.41
HRH2 P25021 2/20 0.41
HRH1 P35367 2/20 0.41
HRH3 Q9Y5N1 2/20 0.41
ADRA2C P18825 1/20 0.41
ENPP2 Q13822 1/20 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
SCHEMBL3219734 0.85 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9ACYP2C19KMT2A
SCHEMBL2451634 0.85 EPHX2 (0.44) HDAC1HDAC6SIGMAR1HRH3EPHX2
SCHEMBL3507123 0.85 CCR5 (0.44) SMN1; SMN2NPC1RAB9ACYP2C19KMT2A
SCHEMBL2454627 0.83 KMT2A (0.46) SMN1; SMN2NPC1RAB9ACYP2C19KMT2A
SCHEMBL3506979 0.81 KMT2A (0.45) SMN1; SMN2NPC1RAB9ACYP2C19KMT2A
SCHEMBL3506534 0.80 KMT2A (0.47) SMN1; SMN2NPC1RAB9ACYP2C19KMT2A
SCHEMBL467592 0.80 SIGMAR1 (0.64) KMT2AMEN1NPSR1HDAC1HDAC6
SCHEMBL2450080 0.77 HRH3 (0.42) SMN1; SMN2NPC1RAB9ACYP2C19KMT2A
SCHEMBL4721566 0.76 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9ACYP2C19KMT2A
SCHEMBL2450084 0.74 ALDH1A1 (0.39) ALDH1A1HSD17B10TMEM97HTR2AHTR2C

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 SMN1; SMN2 3376/4885NPC1 334/4885RAB9A 568/4885
US-20060229301-A1 Spiro-piperidine compounds and medicinal use thereof CCR1, CCR7, CCR3 SMN1; SMN2 3376/4885NPC1 334/4885RAB9A 568/4885

“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.