SCHEMBL3807352

SCHEMBL3807352

CCN(CC)CCOC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 2/20 0.64
SLC6A2 P23975 1/20 0.64
HTR2A P28223 1/20 0.64
OPRK1 P41145 1/20 0.64
HTR2B P41595 1/20 0.64
SLC6A3 Q01959 1/20 0.64
KCNH2 Q12809 1/20 0.64
LMNA P02545 6/20 0.61
CYP1A2 P05177 3/20 0.61
CYP2C9 P11712 3/20 0.61
CYP3A4 P08684 2/20 0.61
MEN1 O00255 1/20 0.61
GMNN O75496 1/20 0.61
ALDH1A1 P00352 1/20 0.61
TTR P02766 1/20 0.61
PKM P14618 1/20 0.61
NFKB1 P19838 1/20 0.61
UGT1A1 P22309 1/20 0.61
PTGS1 P23219 1/20 0.61
PTGS2 P35354 1/20 0.61

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
Acetic Acid SCHEMBL28343561 0.97 PDE4D (0.61) PDE4DSLC6A2HTR2AOPRK1HTR2B
Niflumic Acid SCHEMBL28346475 0.89 LMNA (0.68) PDE4DSLC6A2HTR2AOPRK1HTR2B
SCHEMBL8689929 0.87 LMNA (0.69) PDE4DSLC6A2HTR2AOPRK1HTR2B
SCHEMBL4563521 0.84 LMNA (0.68) LMNACYP1A2CYP2C9TEAD4CYP2C19
SCHEMBL25392363 0.82 LMNA (0.76) PDE4DSLC6A2HTR2AOPRK1HTR2B
SCHEMBL13299182 0.82 LMNA (0.65) PDE4DSLC6A2HTR2AOPRK1HTR2B
SCHEMBL11579364 0.82 PDE4D (0.63) PDE4DSLC6A2HTR2AOPRK1HTR2B
Acetic Acid SCHEMBL28343495 0.82 LMNA (0.64) LMNACYP1A2CYP2C9TEAD4CYP2C19
SCHEMBL11521452 0.81 LMNA (0.67) PDE4DSLC6A2HTR2AOPRK1HTR2B
SCHEMBL3807345 0.81 LMNA (0.61) PDE4DSLC6A2HTR2AOPRK1HTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210353579-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF TECHFIELDS PHARMA CO LTD (CN) 2021-11-18 US claimed
US-20090238763-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF TECHFIELDS PHARMA CO., LTD. (CN) 2009-09-24 US claimed
CN-104706630-B Positively charged water-soluble prodrugs of aryl anthranilic acids with fast skin penetration rates 于崇曦 2020-01-10 CN 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 (2 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-20210353579-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF HPGDS, PTGIS, PTGES PDE4D 1993/4885SLC6A2 326/4885HTR2A 587/4885
US-20090238763-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF HPGDS, PTGIS, PTGES PDE4D 1993/4885SLC6A2 326/4885HTR2A 587/4885

“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.