SCHEMBL89880

SCHEMBL89880

CC(C)CC1(N)CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 2/20 0.37
ALOX15 P16050 1/20 0.37
CYP11B2 P19099 1/20 0.37
USP30 Q70CQ3 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
SCD5 Q86SK9 1/20 0.35
NR1H2 P55055 1/20 0.35
HDAC2 Q92769 1/20 0.35
ATM Q13315 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
HPGD P15428 1/20 0.35
CYP2D6 P10635 1/20 0.35
EPHX2 P34913 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
SCHEMBL90592 0.91 USP2 (0.45) USP2SMN1; SMN2TSHRALOX15ATM
SCHEMBL2343091 0.84 USP2 (0.42) USP2SMN1; SMN2CYP11B2USP30SCD5
SCHEMBL20783202 0.84 USP2 (0.42) USP2SMN1; SMN2CYP11B2USP30SCD5
SCHEMBL5567063 0.84 USP2 (0.42) USP2SMN1; SMN2CYP11B2USP30SCD5
SCHEMBL18342437 0.84 USP2 (0.42) USP2SMN1; SMN2CYP11B2USP30SCD5
SCHEMBL23762449 0.84 USP2 (0.42) USP2SMN1; SMN2CYP11B2USP30SCD5
SCHEMBL21856312 0.84 USP2 (0.42) USP2SMN1; SMN2CYP11B2USP30SCD5
SCHEMBL20479439 0.84 USP2 (0.42) USP2SMN1; SMN2CYP11B2USP30SCD5
SCHEMBL18384436 0.84 USP2 (0.42) USP2SMN1; SMN2CYP11B2USP30SCD5
SCHEMBL745050 0.82 USP2 (0.41) USP2SMN1; SMN2CYP11B2USP30SCD5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
EP-2420491-A1 3 , 5-substitued piperidine compounds as renin inhibitors Novartis AG (CH) 2012-02-22 EP disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 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-20090192148-A1 Organic Compounds REN, ACE, AGTR1 USP2 3964/4885SMN1; SMN2 1867/4885TSHR 1095/4885

“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.