SCHEMBL759553

SCHEMBL759553

[C-]#[N+]C1(O[Si](C)(C)C)CCN(c2ccc(C)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.40
AKR1C3 P42330 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
GAA P10253 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
DHFR P00374 1/20 0.34
MAPT P10636 7/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP13 P45452 1/20 0.33
MMP14 P50281 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPK1 P28482 2/20 0.33
ACHE P22303 1/20 0.33
BACE1 P56817 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL760255 0.73 ADRB1 (0.40) ADRB1AKR1C3MEN1KMT2ANPC1
SCHEMBL17543949 0.71 ADRB1 (0.50) ADRB1AKR1C3MEN1KMT2ANPC1
SCHEMBL13809519 0.67 ADRB1 (0.50) ADRB1AKR1C3MEN1KMT2ANPC1
SCHEMBL7105773 0.67 ADRB1 (0.70) ADRB1AKR1C3MEN1KMT2ANPC1
SCHEMBL10063748 0.67 ADRB1 (0.70) ADRB1AKR1C3MEN1KMT2ANPC1
SCHEMBL3414344 0.67 ADRB1 (0.70) ADRB1AKR1C3MEN1KMT2ANPC1
SCHEMBL12082315 0.67 ADRB1 (0.53) ADRB1AKR1C3MEN1KMT2ANPC1
SCHEMBL17665015 0.66 ADRB1 (0.48) ADRB1AKR1C3MEN1KMT2ANPC1
SCHEMBL14117662 0.66 LGMN (0.54) ADRB1AKR1C3MEN1KMT2ANPC1
SCHEMBL17665167 0.65 ADRB1 (0.52) ADRB1AKR1C3MEN1KMT2ANPC1

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-8138206-B2 Piperidine derivative MSD. K.K. (JP) 2012-03-20 US disclosed
US-20090137576-A1 Novel Piperidine Derivative MSD K.K. (JP) 2009-05-28 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-20090137576-A1 Novel Piperidine Derivative HRH4, HRH3, HRH1 ADRB1 87/4885AKR1C3 2139/4885MEN1 2420/4885

“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.