SCHEMBL20164102

SCHEMBL20164102

O=C(O)N1CC(C(O)c2cccc(F)c2F)C1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.44
CES1 P23141 4/20 0.44
HPGD P15428 1/20 0.38
BCHE P06276 1/20 0.35
LMNA P02545 1/20 0.34
KIF11 P52732 1/20 0.34
REN P00797 1/20 0.33
DPP4 P27487 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
C3AR1 Q16581 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
GLS O94925 1/20 0.33
KMT2A Q03164 1/20 0.33
NOTUM Q6P988 1/20 0.32
CCR5 P51681 1/20 0.32

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
SCHEMBL4972654 0.87 HPGD (0.42) CES2CES1HPGDLMNAREN
SCHEMBL18250064 0.87 CES2 (0.43) CES2CES1DPP4DPP7
SCHEMBL18249596 0.85 CES2 (0.41) CES2CES1HPGDBCHELMNA
SCHEMBL18249627 0.83 CES2 (0.41) CES2CES1HPGDLMNAHCRTR1
SCHEMBL18249589 0.80 GPR119 (0.47) CES2CES1DPP4
SCHEMBL18249588 0.79 CES2 (0.44) CES2CES1DPP4DPP7
SCHEMBL18249644 0.77 CES2 (0.44) CES2CES1DPP4DPP7
SCHEMBL28195251 0.74 CES2 (0.36) CES2CES1KIF11CCR5
SCHEMBL5508452 0.74 REN (0.42) HPGDRENKMT2ANOTUM
SCHEMBL28490410 0.74 CES2 (0.37) CES2CES1HPGDKIF11DPP4

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
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 CES2 233/4885CES1 2329/4885HPGD 548/4885
US-10287247-B2 Azetidine derivatives useful as modulators of cortical cathecolaminergic neurotransmission SLC18A2, SLC6A2, SLC18A3 CES2 166/4885CES1 2533/4885HPGD 753/4885
US-10087142-B2 Azetidine derivatives useful as modulators of cortical cathecolaminergic neurotransmission SLC18A2, SLC6A2, SLC18A1 CES2 161/4885CES1 2089/4885HPGD 479/4885
US-20190031606-A1 NOVEL AZETIDINE DERIVATIVES USEFUL AS MODULATORS OF CORTICAL CATHECOLAMINERGIC NEUROTRANSMISSION SLC18A2, SLC6A2, SLC18A3 CES2 254/4885CES1 2957/4885HPGD 932/4885

“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.