SCHEMBL4136361

SCHEMBL4136361

CC(C)(C)OC(=O)N1CCN(C2c3ccccc3CC2OCc2cc(Br)cc(Br)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
NAMPT P43490 3/20 0.39
TERT O14746 1/20 0.38
BACE1 P56817 1/20 0.38
ESRRB O95718 1/20 0.38
ESR1 P03372 1/20 0.38
ESRRA P11474 1/20 0.38
ESRRG P62508 1/20 0.38
TACR1 P25103 1/20 0.37
FNTA P49354 2/20 0.37
FNTB P49356 2/20 0.37
ESR2 Q92731 1/20 0.37
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM1 P11229 1/20 0.37

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
SCHEMBL4136363 1.00 MMP9 (0.39) MMP9GPR119NAMPTTERTBACE1
SCHEMBL4124182 0.87 FAAH (0.36) TACR1
SCHEMBL4124184 0.87 FAAH (0.36) TACR1
SCHEMBL4121878 0.81 L3MBTL1 (0.45) NAMPT
SCHEMBL5198694 0.79 TACR1 (0.42) TACR1
SCHEMBL4137183 0.79 TACR1 (0.42) TACR1
SCHEMBL4137188 0.79 TACR1 (0.42) TACR1
SCHEMBL4126854 0.79 TACR1 (0.42) TACR1
Hydrochloric Acid SCHEMBL4133667 0.78 TACR1 (0.42) TACR1
Hydrochloric Acid SCHEMBL4120832 0.78 TACR1 (0.42) TACR1

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
US-7612061-B2 Piperazine compounds LES LABORATOIRES SERVIER (FR) 2009-11-03 US disclosed
US-20090076030-A1 Piperazine compounds LES LABORATOIRES SERVIER (FR) 2009-03-19 US disclosed
US-20090075982-A1 Piperazine compounds LES LABORATOIRES SERVIER (FR) 2009-03-19 US disclosed
US-7465733-B2 Piperazine compounds LES LABORATOIRES SERVIER (FR) 2008-12-16 US disclosed
US-20060229318-A1 Piperazine compounds LES LABORATOIRES SERVIER (FR) 2006-10-12 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 (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-20090075982-A1 Piperazine compounds HTR7, HTR5A, NPY5R MMP9 4475/4885GPR119 391/4885NAMPT 2978/4885
US-20090076030-A1 Piperazine compounds HTR7, HTR5A, NPY5R MMP9 4475/4885GPR119 391/4885NAMPT 2978/4885
US-20060229318-A1 Piperazine compounds HTR7, HTR5A, NPY5R MMP9 4475/4885GPR119 391/4885NAMPT 2978/4885

“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.