SCHEMBL4727692

SCHEMBL4727692

FC(F)(F)c1c(Cl)cccc1N1CCNCC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 4/20 0.64
DRD2 P14416 2/20 0.63
DRD3 P35462 2/20 0.63
HTR1A P08908 5/20 0.50
HTR3A P46098 4/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
HTR2C P28335 2/20 0.48
HTR2A P28223 2/20 0.48
DRD4 P21917 1/20 0.48
HTR3E A5X5Y0 2/20 0.46
HTR3B O95264 2/20 0.46
HTR1D P28221 2/20 0.46
HTR3D Q70Z44 2/20 0.46
HTR3C Q8WXA8 2/20 0.46
SIGMAR1 Q99720 2/20 0.46
ALDH1A1 P00352 2/20 0.46
NCF1 P14598 2/20 0.46

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
Hydrochloric Acid SCHEMBL4725829 0.98 ADRB1 (0.62) ADRB1DRD2DRD3HTR1AHTR3A
SCHEMBL3218230 0.82 HTR3A (0.47) ADRB1DRD2DRD3HTR1AHTR3A
SCHEMBL30394490 0.81 HTR6 (0.53) ADRB1DRD2DRD3HTR1AHTR3A
SCHEMBL28311443 0.81 HTR6 (0.53) ADRB1DRD2DRD3HTR1AHTR3A
SCHEMBL9790141 0.81 ADRB1 (0.63) ADRB1DRD2DRD3HTR1AHTR3A
SCHEMBL230424 0.79 ADRB1 (1.00) ADRB1DRD2DRD3HTR1AHTR3A
SCHEMBL29446047 0.79 ADRB1 (1.00) ADRB1DRD2DRD3HTR1AHTR3A
SCHEMBL5785574 0.79 ADRB1 (1.00) ADRB1DRD2DRD3HTR1AHTR3A
SCHEMBL4914816 0.78 ADRB1 (0.70) ADRB1DRD2DRD3HTR1AHTR3A
SCHEMBL8511 0.78 DRD2 (1.00) ADRB1DRD2DRD3HTR1AHTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008084324-A1 NAPHTHYRIDINONE COMPOUND PFIZER PRODUCTS INC. (US) 2008-07-17 WO disclosed
WO-2008084324-A1 NAPHTHYRIDINONE COMPOUND PFIZER PRODUCTS INC. (US) 2008-07-17 WO disclosed
US-20080167319-A1 7-(4-(4-[3-CHLORO-2-(TRIFLUOROMETHYL)PHENYL]PIPERAZIN-1-YL)BUTOXY)-[1,8]-NAPHTHYRIDIN-2(1H)-ONE PFIZER INC. 2008-07-10 US disclosed
US-20080167319-A1 7-(4-(4-[3-CHLORO-2-(TRIFLUOROMETHYL)PHENYL]PIPERAZIN-1-YL)BUTOXY)-[1,8]-NAPHTHYRIDIN-2(1H)-ONE PFIZER INC. 2008-07-10 US disclosed
US-20080167319-A1 7-(4-(4-[3-CHLORO-2-(TRIFLUOROMETHYL)PHENYL]PIPERAZIN-1-YL)BUTOXY)-[1,8]-NAPHTHYRIDIN-2(1H)-ONE PFIZER INC. 2008-07-10 US disclosed
WO-2008020306-A2 ISOINDOLE DERIVATIVES PFIZER PRODUCTS INC. (US) 2008-02-21 WO disclosed
WO-2008020306-A2 ISOINDOLE DERIVATIVES PFIZER PRODUCTS INC. (US) 2008-02-21 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 (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-20080167319-A1 7-(4-(4-[3-CHLORO-2-(TRIFLUOROMETHYL)PHENYL]PIPERAZIN-1-YL)BUTOXY)-[1,8]-NAPHTHYRIDIN-2(1H)-ONE BDNF, SCN7A, GRIN2C ADRB1 395/4885DRD2 63/4885DRD3 49/4885

“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.