SCHEMBL20164090

SCHEMBL20164090

CC(C)(C)OC(=O)N1CC(C(O)c2ccc(F)c(F)c2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.45
ADAMTS5 Q9UNA0 2/20 0.43
MMP13 P45452 2/20 0.43
MMP2 P08253 1/20 0.43
MMP14 P50281 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
USP30 Q70CQ3 2/20 0.43
GPR119 Q8TDV5 3/20 0.41
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
MAP3K14 Q99558 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP3A5 P20815 2/20 0.40
PDE4B Q07343 1/20 0.40

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
SCHEMBL18249631 0.90 MMP13 (0.40) DPP4ADAMTS5MMP13MMP2MMP14
SCHEMBL18249619 0.88 DPP4 (0.45) DPP4ADAMTS5MMP13MMP2MMP14
SCHEMBL18249658 0.87 DPP4 (0.44) DPP4MAPTUSP30GPR119NR1H2
SCHEMBL23211978 0.86 HDAC1 (0.46) DPP4MMP13NPC1ALDH1A1MAPT
SCHEMBL21384664 0.86 HDAC1 (0.46) DPP4MMP13NPC1ALDH1A1MAPT
SCHEMBL5221292 0.83 MEN1 (0.49) NPC1ALDH1A1MAPTMAPK1HTT
SCHEMBL19734489 0.83 DPP4 (0.42) DPP4MMP13NPC1ALDH1A1MAPT
SCHEMBL20164106 0.83 DPP4 (0.42) DPP4MMP13NPC1ALDH1A1MAPT
SCHEMBL19734488 0.83 DPP4 (0.42) DPP4MMP13NPC1ALDH1A1MAPT
SCHEMBL3032608 0.82 NPC1 (0.43) NPC1ALDH1A1MAPTMAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107646031-B Azetidine derivatives as modulators of cortical catecholaminergic neurotransmission 综合研究实验室瑞典股份公司 2020-11-17 CN disclosed
EP-3297987-B1 NOVEL AZETIDINE DERIVATIVES USEFUL AS MODULATORS OF CORTICAL CATHECOLAMINERGIC NEUROTRANSMISSION INTEGRATIVE RES LABORATORIES SWEDEN AB (SE) 2019-05-15 EP disclosed
US-10287247-B2 Azetidine derivatives useful as modulators of cortical cathecolaminergic neurotransmission INTEGRATIVE RESEARCH LABORATORIES SWEDEN AB (SE) 2019-05-14 US disclosed
US-20190031606-A1 NOVEL AZETIDINE DERIVATIVES USEFUL AS MODULATORS OF CORTICAL CATHECOLAMINERGIC NEUROTRANSMISSION INTEGRATIVE RESEARCH LABORATORIES SWEDEN AB (SE) 2019-01-31 US disclosed
US-10087142-B2 Azetidine derivatives useful as modulators of cortical cathecolaminergic neurotransmission INTEGRATIVE RESEARCH LABORATORIES (SE) 2018-10-02 US disclosed
US-20180141903-A1 NOVEL AZETIDINE DERIVATIVES USEFUL AS MODULATORS OF CORTICAL CATHECOLAMINERGIC NEUROTRANSMISSION INTEGRATIVE RESEARCH LABORATORIES SWEDEN AB (SE) 2018-05-24 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 (4 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-20180141903-A1 NOVEL AZETIDINE DERIVATIVES USEFUL AS MODULATORS OF CORTICAL CATHECOLAMINERGIC NEUROTRANSMISSION SLC18A2, SLC18A1, SLC18A3 DPP4 4657/4885ADAMTS5 4465/4885MMP13 4676/4885
US-10287247-B2 Azetidine derivatives useful as modulators of cortical cathecolaminergic neurotransmission SLC18A2, SLC6A2, SLC18A3 DPP4 4230/4885ADAMTS5 4355/4885MMP13 4241/4885
US-10087142-B2 Azetidine derivatives useful as modulators of cortical cathecolaminergic neurotransmission SLC18A2, SLC6A2, SLC18A1 DPP4 4544/4885ADAMTS5 4239/4885MMP13 4413/4885
US-20190031606-A1 NOVEL AZETIDINE DERIVATIVES USEFUL AS MODULATORS OF CORTICAL CATHECOLAMINERGIC NEUROTRANSMISSION SLC18A2, SLC6A2, SLC18A3 DPP4 4238/4885ADAMTS5 4426/4885MMP13 4547/4885

“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.