SCHEMBL3830876

SCHEMBL3830876

CC(C)(C)OC(=O)N1CCCCCCC1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.71
SMN1; SMN2 Q16637 2/20 0.62
USP2 O75604 1/20 0.62
EPHX1 P07099 1/20 0.57
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
MAPT P10636 3/20 0.50
PREP P48147 2/20 0.50
ALDH1A1 P00352 2/20 0.50
ABL1 P00519 1/20 0.50
RIN1 Q13671 1/20 0.50
RECQL P46063 1/20 0.49
NPC1 O15118 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
EPHX2 P34913 1/20 0.46
CTSK P43235 1/20 0.46
POLB P06746 1/20 0.45

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
SCHEMBL13445 1.00 HPGD (0.71) HPGDSMN1; SMN2USP2EPHX1MEN1
SCHEMBL19864905 1.00 HPGD (0.71) HPGDSMN1; SMN2USP2EPHX1MEN1
SCHEMBL2077166 1.00 HPGD (0.71) HPGDSMN1; SMN2USP2EPHX1MEN1
SCHEMBL18432213 1.00 HPGD (0.71) HPGDSMN1; SMN2USP2EPHX1MEN1
SCHEMBL19864899 1.00 HPGD (0.71) HPGDSMN1; SMN2USP2EPHX1MEN1
SCHEMBL19852529 1.00 HPGD (0.71) HPGDSMN1; SMN2USP2EPHX1MEN1
SCHEMBL18097955 1.00 HPGD (0.71) HPGDSMN1; SMN2USP2EPHX1MEN1
SCHEMBL60470 1.00 HPGD (0.71) HPGDSMN1; SMN2USP2EPHX1MEN1
SCHEMBL21707988 1.00 HPGD (0.71) HPGDSMN1; SMN2USP2EPHX1MEN1
Ammonia Solution, Strong SCHEMBL20236062 0.98 HPGD (0.69) HPGDSMN1; SMN2USP2EPHX1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1794129-B1 Synthesis by chiral diamine-mediated asymmetric alkylation JANSSEN PHARMACEUTICA NV (BE) 2015-12-30 EP claimed
EP-1794129-A4 SYNTHESIS BY CHIRAL DIAMINE-MEDIATED ASYMMETRIC ALKYLATION JANSSEN PHARMACEUTICA NV (BE) 2009-09-02 EP claimed
US-7402670-B2 Synthesis by chiral diamine-mediated asymmetric alkylation JANSSEN PHARMACEUTICA, N.V. (BE) 2008-07-22 US claimed
EP-1794129-A2 SYNTHESIS BY CHIRAL DIAMINE-MEDIATED ASYMMETRIC ALKYLATION JANSSEN PHARMACEUTICA N.V. (BE) 2007-06-13 EP claimed
WO-2006039383-A2 SYNTHESIS BY CHIRAL DIAMINE-MEDIATED ASYMMETRIC ALKYLATION JANSSEN PHARMACEUTICA N.V. (BE) 2006-04-13 WO claimed
US-20060069250-A1 Synthesis by chiral diamine-mediated asymmetric alkylation DENG XIAOHU 2006-03-30 US claimed
WO-2023245327-A1 MULTIPLE KINASE DEGRADERS, COMPOSITIONS COMPRISING THE DEGRADER, AND METHODS OF USING THE SAME BIOFRONT LTD (KY) 2023-12-28 WO disclosed
EP-1794129-B1 Synthesis by chiral diamine-mediated asymmetric alkylation JANSSEN PHARMACEUTICA NV (BE) 2015-12-30 EP disclosed
EP-1794129-A4 SYNTHESIS BY CHIRAL DIAMINE-MEDIATED ASYMMETRIC ALKYLATION JANSSEN PHARMACEUTICA NV (BE) 2009-09-02 EP disclosed
US-7402670-B2 Synthesis by chiral diamine-mediated asymmetric alkylation JANSSEN PHARMACEUTICA, N.V. (BE) 2008-07-22 US disclosed
EP-1708713-B1 1-BENZYL-5-PIPERAZIN-1-YL-3,4 DIHYDRO-1H-QUINAZOLIN-2-ONE DERIVATIVES AND THE RESPECTIVE 1H-BENZO(1,2,6)THIADIAZINE-2,2-DIOXIDE AND 1,4-DIHYDRO-BENZO(D)(1,3)OXAZIN-2-ONE DERIVATIVES AS MODULATORS OF THE 5-HYDROXYTRYPTAMINE RECEPTOR (5-HT) FOR THE TREATMENT OF DISEASES OF THE CENTRAL NERVOUS SYSTEM HOFFMANN LA ROCHE (CH) 2008-03-12 EP disclosed
EP-1794129-A2 SYNTHESIS BY CHIRAL DIAMINE-MEDIATED ASYMMETRIC ALKYLATION JANSSEN PHARMACEUTICA N.V. (BE) 2007-06-13 EP disclosed
WO-2006039383-A2 SYNTHESIS BY CHIRAL DIAMINE-MEDIATED ASYMMETRIC ALKYLATION JANSSEN PHARMACEUTICA N.V. (BE) 2006-04-13 WO disclosed
US-20060069250-A1 Synthesis by chiral diamine-mediated asymmetric alkylation DENG XIAOHU 2006-03-30 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-20060069250-A1 Synthesis by chiral diamine-mediated asymmetric alkylation SRM, SMOX, DDC HPGD 2209/4885SMN1; SMN2 3550/4885USP2 1919/4885

“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.