SCHEMBL20164084

SCHEMBL20164084

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.40
DPP9 Q86TI2 3/20 0.40
DPP7 Q9UHL4 3/20 0.40
CES2 O00748 2/20 0.40
CES1 P23141 2/20 0.40
TSHR P16473 2/20 0.37
AKR1C3 P42330 2/20 0.36
AKR1C2 P52895 2/20 0.36
MME P08473 1/20 0.36
DPP8 Q6V1X1 2/20 0.35
HSD11B1 P28845 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
APP P05067 1/20 0.34
PTGS1 P23219 3/20 0.33
PTGS2 P35354 2/20 0.33
FABP2 P12104 1/20 0.33
AKR1C4 P17516 1/20 0.33
ADRA2B P18089 1/20 0.33
CHRM3 P20309 1/20 0.33

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
SCHEMBL18249590 0.85 CES2 (0.43) DPP4DPP9DPP7CES2CES1
SCHEMBL18249654 0.84 CES2 (0.38) DPP4DPP9DPP7CES2CES1
SCHEMBL20164087 0.83 DPP4 (0.37) DPP4DPP9DPP7CES2CES1
SCHEMBL18249631 0.82 MMP13 (0.40) DPP4DPP9DPP7MAPT
SCHEMBL18249619 0.80 DPP4 (0.45) DPP4DPP9DPP7APPMAPT
SCHEMBL18249634 0.76 CES2 (0.32) CES2CES1
SCHEMBL18249630 0.76 CES2 (0.40) DPP4DPP7CES2CES1
SCHEMBL18249564 0.75 CA1 (0.32)
SCHEMBL20164094 0.75 CES2 (0.38) CES2CES1KMT2ALMNACYP1A2
SCHEMBL20164081 0.75 GPR6 (0.41) CES2CES1

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 DPP4 4657/4885DPP9 4084/4885DPP7 4710/4885
US-10287247-B2 Azetidine derivatives useful as modulators of cortical cathecolaminergic neurotransmission SLC18A2, SLC6A2, SLC18A3 DPP4 4230/4885DPP9 3520/4885DPP7 4551/4885
US-10087142-B2 Azetidine derivatives useful as modulators of cortical cathecolaminergic neurotransmission SLC18A2, SLC6A2, SLC18A1 DPP4 4544/4885DPP9 3414/4885DPP7 4568/4885
US-20190031606-A1 NOVEL AZETIDINE DERIVATIVES USEFUL AS MODULATORS OF CORTICAL CATHECOLAMINERGIC NEUROTRANSMISSION SLC18A2, SLC6A2, SLC18A3 DPP4 4238/4885DPP9 3846/4885DPP7 4523/4885

“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.