SCHEMBL2806341

SCHEMBL2806341

O=C(O)N1CCC(c2ccccn2)C1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.60
SPR P35270 1/20 0.58
USP30 Q70CQ3 1/20 0.57
KDM5A P29375 1/20 0.56
NAMPT P43490 1/20 0.51
PRMT5 O14744 4/20 0.49
WDR77 Q9BQA1 4/20 0.49
SCD5 Q86SK9 2/20 0.49
EPHX2 P34913 1/20 0.44
DRD4 P21917 3/20 0.44
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
DRD2 P14416 2/20 0.43
DRD3 P35462 1/20 0.43

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
SCHEMBL6347014 0.93 HSD11B1 (0.53) HSD11B1SPRUSP30KDM5ANAMPT
SCHEMBL4074303 0.91 HSD11B1 (0.53) HSD11B1SPRUSP30KDM5ANAMPT
SCHEMBL1740411 0.87 HSD11B1 (0.49) HSD11B1SPRUSP30KDM5ANAMPT
SCHEMBL31228434 0.87 HSD11B1 (0.49) HSD11B1SPRUSP30KDM5ANAMPT
SCHEMBL29640084 0.87 HSD11B1 (0.59) HSD11B1SPRUSP30KDM5ANAMPT
SCHEMBL19961308 0.84 ALDH1A1 (0.67) HSD11B1SPRUSP30KDM5ARAB9A
SCHEMBL12791432 0.83 HSD11B1 (0.56) HSD11B1SPRUSP30KDM5ANAMPT
SCHEMBL19961306 0.82 RAB9A (0.69) HSD11B1SPRUSP30KDM5ANPC1
SCHEMBL6042688 0.81 USP30 (0.43) HSD11B1SPRUSP30KDM5ANAMPT
SCHEMBL16565554 0.81 ACHE (0.56) HSD11B1SPRNAMPTSCD5EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100240638-A1 Organic Compounds and their uses NOVARTIS AG (CH) 2010-09-23 US disclosed
US-7671072-B2 Aminopyrazole derivatives as GSK-3 inhibitors PFIZER INC. (US) 2010-03-02 US disclosed
US-20070276010-A1 Aminopyrazole Derivatives as Gsk-3 Inhibitors BENBOW JOHN W 2007-11-29 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 (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-20070276010-A1 Aminopyrazole Derivatives as Gsk-3 Inhibitors GSK3B, GSK3A, GSKIP HSD11B1 90/4885SPR 1033/4885USP30 3546/4885
US-20100240638-A1 Organic Compounds and their uses OAT, HAVCR2, CYP3A43 HSD11B1 269/4885SPR 1305/4885USP30 1361/4885

“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.