SCHEMBL4872063

SCHEMBL4872063

CCN(CC)CCNC(=O)C(c1ccc(F)cc1)C1CCCC1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2D6 P10635 2/20 0.49
TSHR P16473 2/20 0.49
CHRM2 P08172 1/20 0.49
HTR1A P08908 1/20 0.49
ADRA2A P08913 1/20 0.49
CHRM1 P11229 1/20 0.49
DRD1 P21728 1/20 0.49
SLC6A2 P23975 1/20 0.49
ADRA1A P35348 1/20 0.49
OPRM1 P35372 1/20 0.49
DRD3 P35462 1/20 0.49
SLC6A3 Q01959 1/20 0.49
KCNH2 Q12809 1/20 0.49
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
KMT2A Q03164 1/20 0.46
TP53 P04637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL4866353 0.88 CYP3A4 (0.63) CYP3A4CYP1A2CYP2D6TSHRCHRM2
SCHEMBL4877735 0.82 CYP3A4 (0.64) CYP3A4CYP1A2CYP2D6TSHRCHRM2
SCHEMBL7084349 0.74 CACNA2D1 (0.47) CYP3A4CYP2D6TSHRKMT2A
Water SCHEMBL7408541 0.72 POLB (0.47) CYP3A4CYP2D6TSHRSLC6A3POLB
SCHEMBL14390374 0.71 SLC6A3 (0.63) SLC6A2SLC6A3
SCHEMBL1565063 0.70 HTR1E (0.47) LMNAKMT2A
SCHEMBL5049558 0.70 HTR1E (0.64) CYP3A4CYP1A2CYP2D6TSHRCHRM2
SCHEMBL12438386 0.69 POLB (0.84) CYP3A4TSHRKCNH2LMNAPOLB
SCHEMBL9363810 0.69 POLB (0.84) CYP3A4TSHRKCNH2LMNAPOLB
SCHEMBL5049482 0.69 CYP1A2 (0.63) CYP3A4CYP1A2CYP2D6TSHRCHRM2

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-20080153917-A1 Sigma Receptor Ligands UCB PHARMA, S.A. (BE) 2008-06-26 US claimed
EP-1797036-A1 SIGMA RECEPTOR LIGANDS UCB Pharma, S.A. (BE) 2007-06-20 EP claimed
WO-2006027252-A1 SIGMA RECEPTOR LIGANDS UCB PHARMA, SA (BE) 2006-03-16 WO claimed
US-20080153917-A1 Sigma Receptor Ligands UCB PHARMA, S.A. (BE) 2008-06-26 US disclosed
EP-1797036-A1 SIGMA RECEPTOR LIGANDS UCB Pharma, S.A. (BE) 2007-06-20 EP disclosed
WO-2006027252-A1 SIGMA RECEPTOR LIGANDS UCB PHARMA, SA (BE) 2006-03-16 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-20080153917-A1 Sigma Receptor Ligands SIGMAR1, TMEM97, OPRL1 CYP3A4 168/4885CYP1A2 141/4885CYP2D6 297/4885

“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.