SCHEMBL3106959

SCHEMBL3106959

O=C(NCCCO)c1ccc(C2=NOC(c3cccc(C(F)(F)F)c3)(C(F)(F)F)C2)c2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.38
HTR1A P08908 2/20 0.38
HTR2A P28223 2/20 0.38
PDK2 Q15119 2/20 0.38
GPR52 Q9Y2T5 1/20 0.38
ITGB2 P05107 2/20 0.37
ICAM1 P05362 2/20 0.37
ITGAL P20701 2/20 0.37
NAMPT P43490 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.36
DRD3 P35462 3/20 0.35
CCR1 P32246 2/20 0.34
ADRA1A P35348 1/20 0.34
TP53BP1 Q12888 1/20 0.34

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
SCHEMBL3113142 0.89 DRD3 (0.35) DRD2HTR1AHTR2ANAMPTKDM4E
SCHEMBL870579 0.88 MEN1 (0.36) PDK2GPR52
SCHEMBL3111704 0.88 ELANE (0.35) DRD2HTR1AHTR2AKDM4EALDH1A1
SCHEMBL3115878 0.85 HTT (0.35) DRD2HTR1AHTR2AALDH1A1CCR1
SCHEMBL871765 0.85 GPR52 (0.37) GPR52
SCHEMBL10072325 0.84 GPR52 (0.37) GPR52
SCHEMBL3097102 0.84 GPR139 (0.41) CCR1
SCHEMBL875202 0.83 OPRM1 (0.35) DRD2HTR1AHTR2ADRD3CCR1
SCHEMBL875203 0.83 OPRM1 (0.35) DRD2HTR1AHTR2ADRD3CCR1
SCHEMBL875201 0.83 OPRM1 (0.35) DRD2HTR1AHTR2ADRD3CCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3222618-B1 NAPTHALENE ISOXAZOLINE INVERTEBRATE PEST CONTROL AGENTS DU PONT (US) 2020-09-09 EP disclosed
EP-3222618-A1 NAPTHALENE ISOXAZOLINE INVERTEBRATE PEST CONTROL AGENTS E. I. du Pont de Nemours and Company (US) 2017-09-27 EP disclosed
US-20140113943-A9 Naphthalene Isoxazoline Invertebrate Pest Control Agents E.I. DU PONT DE NEMOURS AND COMPANY 2014-04-24 US disclosed
US-20130217736-A1 Naphthalene Isoxazoline Invertebrate Pest Control Agents DU PONT (US) 2013-08-22 US disclosed
US-8410153-B2 Naphthalene isoxazoline invertebrate pest control agents E.I. DU PONT DE NEMOURS AND COMPANY (US) 2013-04-02 US disclosed
US-20100254959-A1 NAPHTHALENE ISOXAZOLINE INVERTEBRATE PEST CONTROL AGENTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-10-07 US disclosed
EP-2158188-A2 NAPHTHALENE ISOXAZOLINE INVERTEBRATE PEST CONTROL AGENTS E. I. Du Pont de Nemours and Company (US) 2010-03-03 EP disclosed
WO-2009002809-A2 NAPHTHALENE ISOXAZOLINE INVERTEBRATE PEST CONTROL AGENTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-12-31 WO 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 (3 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-20100254959-A1 NAPHTHALENE ISOXAZOLINE INVERTEBRATE PEST CONTROL AGENTS C1S, C1R, C9 DRD2 818/4885HTR1A 1543/4885HTR2A 2359/4885
US-20130217736-A1 Naphthalene Isoxazoline Invertebrate Pest Control Agents C1S, C1R, C9 DRD2 818/4885HTR1A 1543/4885HTR2A 2359/4885
US-20140113943-A9 Naphthalene Isoxazoline Invertebrate Pest Control Agents C1S, C1R, C9 DRD2 818/4885HTR1A 1543/4885HTR2A 2359/4885

“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.