SCHEMBL6504138

SCHEMBL6504138

O=c1[nH]c2cc(Cl)ccc2n1C1CCN(Cc2cccc(Oc3ccccc3)c2)CC1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 6/20 0.77
OPRM1 P35372 9/20 0.70
OPRK1 P41145 2/20 0.64
OPRL1 P41146 1/20 0.64
DRD2 P14416 3/20 0.59
HTR1A P08908 2/20 0.59
ADRA2A P08913 2/20 0.59
HTR2A P28223 2/20 0.59
SLC6A4 P31645 2/20 0.59
DRD3 P35462 2/20 0.59
MEN1 O00255 1/20 0.59
SLC22A2 O15244 1/20 0.59
NR1I2 O75469 1/20 0.59
GMNN O75496 1/20 0.59
USP2 O75604 1/20 0.59
LMNA P02545 1/20 0.59
CYP1A2 P05177 1/20 0.59
GLA P06280 1/20 0.59
ADRB2 P07550 1/20 0.59
ADRB1 P08588 1/20 0.59

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
SCHEMBL6504966 0.92 OPRM1 (0.70) CHRM1OPRM1OPRK1OPRL1DRD2
SCHEMBL6161133 0.91 CHRM1 (0.92) CHRM1OPRM1OPRK1OPRL1DRD2
SCHEMBL6496007 0.89 OPRM1 (0.83) CHRM1OPRM1OPRK1OPRL1DRD2
SCHEMBL6505610 0.86 OPRM1 (0.68) CHRM1OPRM1OPRK1OPRL1DRD2
SCHEMBL7070238 0.85 OPRM1 (0.65) CHRM1OPRM1OPRK1OPRL1DRD2
SCHEMBL6507099 0.85 OPRM1 (0.65) CHRM1OPRM1OPRK1OPRL1DRD2
SCHEMBL6497550 0.85 OPRM1 (0.67) CHRM1OPRM1OPRK1OPRL1DRD2
SCHEMBL6504972 0.83 OPRM1 (0.68) CHRM1OPRM1OPRK1OPRL1DRD2
SCHEMBL8884316 0.82 OPRM1 (0.78) CHRM1OPRM1OPRK1OPRL1DRD2
SCHEMBL6498522 0.82 OPRM1 (0.74) CHRM1OPRM1OPRK1OPRL1DRD2

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-20050143372-A1 Compounds, pharmaceutical compositions and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. 2005-06-30 US disclosed
US-20050009843-A1 Medicine for inhibiting drug elimination pump TRINE PHARMACEUTICALS, INC. 2005-01-13 US disclosed
EP-1389463-A1 MEDICINE FOR INHIBITING DRUG ELIMINATION PUMP DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-02-18 EP 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 (2 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-20050143372-A1 Compounds, pharmaceutical compositions and methods of use therefor CCR8, CCL11, CCR5 CHRM1 2534/4885OPRM1 494/4885OPRK1 246/4885
US-20050009843-A1 Medicine for inhibiting drug elimination pump ABCB11, ATP6AP1, HRH2 CHRM1 51/4885OPRM1 82/4885OPRK1 463/4885

“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.