SCHEMBL4119985

SCHEMBL4119985

O[C@H]1CCc2ccccc2[C@@H]1N1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.43
ACHE P22303 1/20 0.41
POLB P06746 1/20 0.40
CHRNA7 P36544 1/20 0.40
SLC18A3 Q16572 2/20 0.38
OPRM1 P35372 1/20 0.38
CHRM4 P08173 1/20 0.37
HTR7 P34969 1/20 0.37
IDO1 P14902 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL4119991 1.00 CNR2 (0.43) CNR2ACHEPOLBCHRNA7SLC18A3
SCHEMBL4119987 1.00 CNR2 (0.43) CNR2ACHEPOLBCHRNA7SLC18A3
SCHEMBL9498356 0.86 CHRNA7 (0.50) CHRNA7SLC18A3CHRM4HTR7
SCHEMBL9748301 0.86 CHRNA7 (0.50) CHRNA7SLC18A3CHRM4HTR7
SCHEMBL9748308 0.86 CHRNA7 (0.50) CHRNA7SLC18A3CHRM4HTR7
SCHEMBL4128332 0.78 SLC18A3 (0.41) CHRNA7SLC18A3KDM4EALDH1A1MAPT
SCHEMBL4128329 0.78 SLC18A3 (0.41) CHRNA7SLC18A3KDM4EALDH1A1MAPT
SCHEMBL4128336 0.78 SLC18A3 (0.41) CHRNA7SLC18A3KDM4EALDH1A1MAPT
SCHEMBL9492264 0.78 CHRNA7 (0.49) CHRNA7SLC18A3IDO1TSHR
SCHEMBL4129064 0.74 SLC18A3 (0.40) CHRNA7SLC18A3ALDH1A1TSHR

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 CNR2 19/4885ACHE 2202/4885POLB 2090/4885
US-20090076030-A1 Piperazine compounds HTR7, HTR5A, NPY5R CNR2 19/4885ACHE 2202/4885POLB 2090/4885
US-20060229318-A1 Piperazine compounds HTR7, HTR5A, NPY5R CNR2 19/4885ACHE 2202/4885POLB 2090/4885

“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.