SCHEMBL8294656

SCHEMBL8294656

CN(C)C(=O)c1cccc(CN2CCNCC2)c1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 15/20 0.56
FAAH O00519 1/20 0.54
MGLL Q99685 1/20 0.54
DRD2 P14416 1/20 0.53
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
HIF1A Q16665 1/20 0.51
SIGMAR1 Q99720 1/20 0.50

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 SCHEMBL5570576 0.99 CHRM3 (0.55) CHRM3FAAHMGLLDRD2CYP2D6
SCHEMBL7037977 0.85 CHRM3 (0.69) CHRM3CYP2D6CYP2C9HIF1ASIGMAR1
SCHEMBL8294659 0.84 CHRM3 (0.50) CHRM3CYP2D6CYP2C9HIF1ASIGMAR1
SCHEMBL28744419 0.83 CYP2D6 (0.73) CHRM3CYP2D6CYP2C9HIF1ASIGMAR1
Hydrochloric Acid SCHEMBL5570472 0.83 CHRM3 (0.49) CHRM3CYP2D6CYP2C9HIF1ASIGMAR1
SCHEMBL4176561 0.82 SLC6A4 (0.58) CHRM3CYP2D6CYP2C9HIF1ASIGMAR1
SCHEMBL30799020 0.82 SLC6A4 (0.58) CHRM3CYP2D6CYP2C9HIF1ASIGMAR1
SCHEMBL12438436 0.82 CYP2D6 (0.71) CHRM3CYP2D6CYP2C9HIF1ASIGMAR1
SCHEMBL1512308 0.81 CHRM3 (0.72) CHRM3
SCHEMBL14389982 0.80 SIGMAR1 (0.56) CHRM3CYP2D6CYP2C9HIF1ASIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070197608-A1 Piperazines as oxytocin agonists FERRING B.V. (NL) 2007-08-23 US disclosed
WO-2005023812-A2 PIPERAZINES AS OXYTOCIN AGONISTS FERRING B.V. (NL) 2005-03-17 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-20070197608-A1 Piperazines as oxytocin agonists OXTR, OPRL1, AVPR2 CHRM3 422/4885FAAH 464/4885MGLL 3219/4885

“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.