SCHEMBL11958216

SCHEMBL11958216

CN(CCO)CC(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 2/20 0.51
▸ GSK3B P49841 1/20 0.51
▸ TMEM97 Q5BJF2 1/20 0.46
▸ SIGMAR1 Q99720 1/20 0.46
▸ CES2 O00748 1/20 0.46
▸ CES1 P23141 1/20 0.46
▸ MMP1 P03956 1/20 0.45
▸ MMP2 P08253 1/20 0.44
▸ MMP8 P22894 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ LSS P48449 2/20 0.43
▸ SLC6A9 P48067 1/20 0.42
▸ HSD11B1 P28845 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ SRD5A2 P31213 1/20 0.41
▸ THRA P10827 1/20 0.41
▸ THRB P10828 1/20 0.41

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
SCHEMBL26921675 0.82 PTPN1 (0.59) PTPN1GSK3BCES2CES1MMP1
SCHEMBL6401147 0.78 KMT2A (0.59) PTPN1GSK3BCES1ALDH1A1MAPT
SCHEMBL28309747 0.78 MAPT (0.59) ALDH1A1MAPT
SCHEMBL15969571 0.76 GSR (0.57) PTPN1GSK3BCES2CES1MMP1
Hydrochloric Acid SCHEMBL1549461 0.74 GSR (0.58) PTPN1GSK3BCES2CES1MMP1
SCHEMBL1360049 0.74 PTPN1 (0.68) PTPN1GSK3BCES2CES1MMP1
SCHEMBL12993269 0.73 PYCR1 (0.58) TMEM97SIGMAR1ALDH1A1LSS
SCHEMBL478183 0.72 PTPN1 (0.66) PTPN1GSK3BCES2CES1MMP1
SCHEMBL26135918 0.72 MMP1 (0.76) PTPN1GSK3BCES2CES1MMP1
SCHEMBL29987081 0.72 PTPN1 (0.75) PTPN1GSK3BCES2CES1MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8236805-B2 Substituted piperazines as CB1 antagonists INTERVET INC. (US) 2012-08-07 — — US disclosed
US-8236805-B2 Substituted piperazines as CB1 antagonists INTERVET INC. (US) 2012-08-07 — — US disclosed
US-7700597-B2 Substituted piperazines as CB1 antagonists SCHERING CORPORATION (US) 2010-04-20 — — US disclosed
US-7700597-B2 Substituted piperazines as CB1 antagonists SCHERING CORPORATION (US) 2010-04-20 — — US disclosed
US-20100029607-A1 Substituted Piperazines as CB1 Antagonists SCHERING CORPORATION 2010-02-04 — — US disclosed
US-20100029607-A1 Substituted Piperazines as CB1 Antagonists SCHERING CORPORATION 2010-02-04 — — 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 (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-20100029607-A1 Substituted Piperazines as CB1 Antagonists CNR1, CNR2, GPR119 PTPN1 1647/4885GSK3B 3443/4885TMEM97 328/4885

“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.

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