SCHEMBL1968157

SCHEMBL1968157

COC(=O)CN1CCC(OC)CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
TERT O14746 1/20 0.40
GSK3B P49841 5/20 0.37
DYRK1A Q13627 5/20 0.37
WNT1 P04628 2/20 0.37
ALDH1A1 P00352 2/20 0.36
CCNT1 O60563 1/20 0.36
CDK9 P50750 1/20 0.36
KCNQ3 O43525 2/20 0.35
KCNQ2 O43526 2/20 0.35
KCNQ4 P56696 1/20 0.35
KCNQ5 Q9NR82 1/20 0.35
LMNA P02545 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL5482515 0.84 SMN1; SMN2 (0.46) SMN1; SMN2GSK3BDYRK1AWNT1ALDH1A1
SCHEMBL23896279 0.84 TERT (0.40) SMN1; SMN2TERTGSK3BALDH1A1KMT2A
SCHEMBL12640328 0.82 TERT (0.40) SMN1; SMN2TERTGSK3BDYRK1AWNT1
SCHEMBL2663389 0.82 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL23291308 0.82 SMN1; SMN2 (0.45) SMN1; SMN2GSK3BDYRK1AWNT1ALDH1A1
SCHEMBL1965586 0.82 SMN1; SMN2 (0.45) SMN1; SMN2TERTGSK3BDYRK1AWNT1
SCHEMBL14971478 0.82 HSD17B10 (0.44) SMN1; SMN2TERTGSK3BDYRK1AWNT1
SCHEMBL14971479 0.82 TERT (0.39) SMN1; SMN2TERTGSK3BDYRK1AWNT1
SCHEMBL24754097 0.81 SMN1; SMN2 (0.41) SMN1; SMN2TERTGSK3BDYRK1AWNT1
SCHEMBL19011718 0.81 SMN1; SMN2 (0.39) SMN1; SMN2GSK3BDYRK1AWNT1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2334657-B1 PIPERAZINE D3 AND 5-HT2A RECEPTOR MODULATORS HOFFMANN LA ROCHE (CH) 2013-03-06 EP disclosed
EP-2334657-A1 PIPERAZINE D3 AND 5-HT2A RECEPTOR MODULATORS F. Hoffmann-La Roche AG (CH) 2011-06-22 EP disclosed
US-7858630-B2 D3 and 5-HT2A receptor modulators HOFFMANN-LA ROCHE INC. (US) 2010-12-28 US disclosed
US-7858630-B2 D3 and 5-HT2A receptor modulators HOFFMANN-LA ROCHE INC. (US) 2010-12-28 US disclosed
US-7858630-B2 D3 and 5-HT2A receptor modulators HOFFMANN-LA ROCHE INC. (US) 2010-12-28 US disclosed
US-20100075983-A1 D3 AND 5-HT2A RECEPTOR MODULATORS HOFFMANN-LA ROCHE, INC. 2010-03-25 US disclosed
US-20100075983-A1 D3 AND 5-HT2A RECEPTOR MODULATORS HOFFMANN-LA ROCHE, INC. 2010-03-25 US disclosed
US-20100075983-A1 D3 AND 5-HT2A RECEPTOR MODULATORS HOFFMANN-LA ROCHE, INC. 2010-03-25 US disclosed
WO-2010031735-A1 PIPERAZINE D3 AND 5-HT2A RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-03-25 WO 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-20100075983-A1 D3 AND 5-HT2A RECEPTOR MODULATORS HTR2A, HTR3A, HTR1A SMN1; SMN2 3217/4885TERT 4296/4885GSK3B 312/4885

“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.