SCHEMBL3272891

SCHEMBL3272891

O=C(NCC1CCCCC1)c1ccc2c(c1)C1(COC=N1)c1ccccc1O2

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ROCK2 O75116 1/20 0.42
HDAC6 Q9UBN7 2/20 0.42
NAMPT P43490 4/20 0.42
POLB P06746 1/20 0.41
ITK Q08881 1/20 0.41
MLYCD O95822 1/20 0.40
CA2 P00918 1/20 0.40
NPC1 O15118 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MMP13 P45452 1/20 0.39
CNR2 P34972 1/20 0.38

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
SCHEMBL15510073 0.83 BACE1 (0.46) MEN1KMT2AROCK2HDAC6NAMPT
SCHEMBL3273087 0.82 PDK2 (0.45) KMT2ANAMPTPOLBNPC1
SCHEMBL3273293 0.80 RAB9A (0.48) MEN1KMT2AHDAC6POLBNPC1
SCHEMBL3272894 0.69 BACE1 (0.41) NAMPTNPC1CNR2
SCHEMBL15509542 0.69 CNR2 (0.51) KMT2ANPC1SMN1; SMN2CNR2
SCHEMBL3457717 0.68 HPGD (0.67) MEN1KMT2AROCK2HDAC6MLYCD
SCHEMBL10722330 0.68 MEN1 (0.81) MEN1KMT2AHDAC6POLBMLYCD
SCHEMBL10722498 0.67 HDAC6 (0.77) MEN1KMT2AHDAC6NAMPTPOLB
SCHEMBL25123079 0.66 SMN1; SMN2 (0.76) MEN1KMT2AHDAC6NAMPTPOLB
SCHEMBL4522241 0.66 SMN1; SMN2 (0.76) MEN1KMT2AHDAC6NAMPTPOLB

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-8426447-B2 Spiro-tricyclic ring compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2013-04-23 US disclosed
US-20100087429-A1 SPIRO-TRICYCLIC RING COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2010-04-08 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-20100087429-A1 SPIRO-TRICYCLIC RING COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, BACE2, APP MEN1 4037/4885KMT2A 3308/4885ROCK2 2929/4885

“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.