SCHEMBL6075880

SCHEMBL6075880

C[N+](C)(C)CCCNC(=O)N1C(=O)C(=C([O-])c2cccs2)c2cc(Cl)ccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.37
OPRD1 P41143 3/20 0.37
OPRK1 P41145 3/20 0.37
CCKBR P32239 1/20 0.37
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HTT P42858 2/20 0.35
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
DRD2 P14416 2/20 0.33
GAA P10253 2/20 0.33
DRD3 P35462 1/20 0.33
DRD1 P21728 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TP53 P04637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL6075872 1.00 OPRM1 (0.37) OPRM1OPRD1OPRK1CCKBRNPC1
Hydrochloric Acid SCHEMBL6075708 0.89 OPRM1 (0.40) OPRM1OPRD1OPRK1CCKBRNPC1
Hydrochloric Acid SCHEMBL6075710 0.89 OPRM1 (0.40) OPRM1OPRD1OPRK1CCKBRNPC1
Hydrochloric Acid SCHEMBL6075712 0.89 OPRM1 (0.40) OPRM1OPRD1OPRK1CCKBRNPC1
SCHEMBL6075755 0.79 P2RX4 (0.44) OPRM1OPRD1OPRK1CCKBRKDM4E
SCHEMBL6595488 0.78 P2RX4 (0.44) OPRM1OPRD1OPRK1CCKBRNPC1
SCHEMBL6595483 0.78 P2RX4 (0.44) OPRM1OPRD1OPRK1CCKBRNPC1
SCHEMBL6595493 0.78 P2RX4 (0.44) OPRM1OPRD1OPRK1CCKBRNPC1
Hydrochloric Acid SCHEMBL6075388 0.77 P2RX4 (0.44) OPRM1OPRD1OPRK1CCKBRKDM4E
Hydrochloric Acid SCHEMBL6075394 0.77 P2RX4 (0.44) OPRM1OPRD1OPRK1CCKBRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7008613-B2 Quaternary ammonium compounds LES LABORATOIRES SERVIER (FR) 2006-03-07 US disclosed
US-20040208822-A1 New quaternary ammonium compounds INSERM (FR) 2004-10-21 US disclosed
EP-1185526-B1 NOVEL QUATERNARY AMMONIUM DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL USE INST NAT SANTE RECH MED (FR) 2004-09-15 EP disclosed
US-6759406-B1 4-HYDROXY-1,1-DIOXO-1,2-BENZOTHIAZIN-3-YL DERIVATIVES; CARTILAGINOUS TISSUE AFFINITY; LOWER DOASAGE; ARTHRITIS, OSTEOARTHRITIS, CHONDROSARCOMAS LES LABORATOIRES SERVIER (FR) 2004-07-06 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 (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-20040208822-A1 New quaternary ammonium compounds COL2A1, P4HA1, COL1A1 OPRM1 356/4885OPRD1 461/4885OPRK1 953/4885

“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.