SCHEMBL3216158

SCHEMBL3216158

CCCN1CC2(CCN(C(=O)OCc3ccccc3)CC2)OC1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
NPSR1 Q6W5P4 2/20 0.49
SMN1; SMN2 Q16637 4/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
ALDH1A1 P00352 5/20 0.45
USP2 O75604 1/20 0.45
ENPP2 Q13822 1/20 0.45
ATXN2 Q99700 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
CCR5 P51681 2/20 0.44
TMEM97 Q5BJF2 2/20 0.44
SIGMAR1 Q99720 2/20 0.44
FKBP1A P62942 1/20 0.44
KDM1A O60341 1/20 0.44
CYP2C19 P33261 1/20 0.44
ALOX15 P16050 2/20 0.44

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
SCHEMBL11367505 0.88 MEN1 (0.52) KMT2AMEN1NPSR1SMN1; SMN2NPC1
SCHEMBL11363329 0.87 MEN1 (0.53) KMT2AMEN1NPSR1SMN1; SMN2NPC1
SCHEMBL3506534 0.86 KMT2A (0.47) KMT2AMEN1NPSR1SMN1; SMN2NPC1
SCHEMBL3219625 0.84 SMN1; SMN2 (0.50) KMT2AMEN1NPSR1SMN1; SMN2NPC1
SCHEMBL11367266 0.81 OPRM1 (0.60) KMT2AMEN1NPSR1SMN1; SMN2NPC1
SCHEMBL11367166 0.78 SIGMAR1 (0.52) ALDH1A1KDM4ESIGMAR1HSD17B10
SCHEMBL11362432 0.78 OPRM1 (0.48) KMT2AMEN1NPSR1SMN1; SMN2NPC1
SCHEMBL11368574 0.77 OPRM1 (0.52) KMT2AMEN1NPSR1SMN1; SMN2NPC1
SCHEMBL7298780 0.77 MEN1 (0.47) KMT2AMEN1NPSR1SMN1; SMN2NPC1
SCHEMBL3232374 0.77 OPRM1 (0.52) KMT2AMEN1NPSR1ALDH1A1SIGMAR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575167-B2 Spiro compounds having stearoyl-CoA desaturase action TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-11-05 US disclosed
US-20100069351-A1 SPIRO COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-18 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 (1 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-20100069351-A1 SPIRO COMPOUND AND USE THEREOF SCD, SPR, SCD5 KMT2A 2574/4885MEN1 3647/4885NPSR1 3024/4885

“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.