SCHEMBL5683229

SCHEMBL5683229

CC(O)N1CCNCC1C(c1ccccc1)c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.40
OPRD1 P41143 2/20 0.40
OPRK1 P41145 2/20 0.40
OPRL1 P41146 2/20 0.40
CYP2D6 P10635 3/20 0.39
CYP19A1 P11511 1/20 0.39
SLC6A2 P23975 6/20 0.39
SLC6A4 P31645 6/20 0.39
SLC6A3 Q01959 6/20 0.39
CHRM2 P08172 3/20 0.39
CHRM1 P11229 3/20 0.39
HTR1A P08908 2/20 0.39
ADRA2A P08913 2/20 0.39
DRD1 P21728 2/20 0.39
TBXA2R P21731 2/20 0.39
ADRA1A P35348 2/20 0.39
DRD3 P35462 2/20 0.39
KCNH2 Q12809 2/20 0.39
BCL2 P10415 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL16757387 0.80 TDP1 (0.42) OPRM1OPRD1OPRK1OPRL1CYP2D6
SCHEMBL4494055 0.78 MEN1 (0.40) OPRM1OPRD1OPRK1OPRL1CYP2D6
SCHEMBL3919530 0.78 MEN1 (0.50) OPRM1OPRD1OPRK1OPRL1CYP2D6
SCHEMBL16757280 0.78 TDP1 (0.46) OPRM1OPRD1OPRK1OPRL1CYP2D6
SCHEMBL5683230 0.78 TDP1 (0.41) OPRM1OPRD1OPRK1OPRL1CYP2D6
SCHEMBL16757335 0.76 SLC6A2 (0.41) OPRM1OPRD1OPRK1OPRL1CYP2D6
SCHEMBL21910180 0.74 CYP2D6 (0.51) OPRM1OPRD1OPRK1OPRL1CYP2D6
SCHEMBL21910174 0.74 CYP2D6 (0.51) OPRM1OPRD1OPRK1OPRL1CYP2D6
SCHEMBL4492193 0.74 TDP1 (0.41) OPRM1OPRD1OPRK1OPRL1CYP2D6
SCHEMBL28960292 0.73 MEN1 (0.43) OPRD1CYP2D6SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060258684-A1 2-[2-[4-[(4-chlorophenyl) phenylmethyl]-1-piperazinyl]ethoxy]acetic acid monohydrochloride as anti-allergenic compound and process for its production WOCKHARDT LIMITED (IN) 2006-11-16 US disclosed
EP-1628964-A1 2-[2-[4-[(4-CHLOROPHENYL) PHENYLMETHYL] -1-PIPERAZINYL] ETHOXY] ACETIC ACID MONOHYDROCHLORIDE AS ANTI-ALLERGENIC COMPOUND AND PROCESS FOR ITS PRODUCTION Wockhardt Limited (IN) 2006-03-01 EP disclosed
WO-2004103982-A1 2-[2-[4-[(4-CHLOROPHENYL) PHENYLMETHYL]-1-PIPERAZINYL]ETHOXY]ACETIC ACID MONOHYDROCHLORIDE AS ANTI-ALLERGENIC COMPOUND AND PROCESS FOR ITS PRODUCTION WOCKHARDT LIMITED (US) 2004-12-02 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-20060258684-A1 2-[2-[4-[(4-chlorophenyl) phenylmethyl]-1-piperazinyl]ethoxy]acetic acid monohydrochloride as anti-allergenic compound and process for its production CMA1, HRH2, HRH1 OPRM1 2829/4885OPRD1 2663/4885OPRK1 3105/4885

“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.