SCHEMBL3174438

SCHEMBL3174438

CN(C(=O)C(OS(C)(=O)=O)c1ccc(Cl)c(Cl)c1)C1CCCCC1N1CCCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 5/20 0.58
▸ CYP3A4 P08684 4/20 0.58
▸ CYP2D6 P10635 4/20 0.58
▸ PMP22 Q01453 3/20 0.58
▸ NFKB1 P19838 1/20 0.58
▸ TDP1 Q9NUW8 1/20 0.58
▸ SIGMAR1 Q99720 12/20 0.58
▸ TSHR P16473 3/20 0.58
▸ CYP1A2 P05177 2/20 0.58
▸ CYP2C19 P33261 2/20 0.58
▸ OPRM1 P35372 2/20 0.55
▸ TP53 P04637 2/20 0.55
▸ ALDH1A1 P00352 2/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ MTOR P42345 1/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ OPRD1 P41143 1/20 0.55
▸ MAPK8 P45983 1/20 0.55
▸ MAPK9 P45984 1/20 0.55

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
SCHEMBL10801595 0.86 SIGMAR1 (0.58) OPRK1CYP3A4CYP2D6PMP22NFKB1
SCHEMBL3529740 0.84 SIGMAR1 (0.66) OPRK1CYP3A4CYP2D6PMP22NFKB1
SCHEMBL10867328 0.84 SIGMAR1 (0.66) OPRK1CYP3A4CYP2D6PMP22NFKB1
Hydrochloric Acid SCHEMBL5630513 0.83 SIGMAR1 (0.62) OPRK1CYP3A4CYP2D6PMP22NFKB1
Hydrochloric Acid SCHEMBL5630517 0.83 SIGMAR1 (0.62) OPRK1CYP3A4CYP2D6PMP22NFKB1
SCHEMBL11060007 0.83 SIGMAR1 (0.55) OPRK1CYP3A4CYP2D6PMP22NFKB1
Hydrochloric Acid SCHEMBL6350297 0.79 SIGMAR1 (0.59) OPRK1CYP3A4CYP2D6PMP22NFKB1
Hydrochloric Acid SCHEMBL6478894 0.79 SIGMAR1 (0.59) OPRK1CYP3A4CYP2D6PMP22NFKB1
SCHEMBL11527167 0.74 LMNA (0.39) OPRK1CYP3A4CYP2D6PMP22NFKB1
SCHEMBL7218504 0.74 SIGMAR1 (1.00) OPRK1CYP3A4CYP2D6PMP22NFKB1

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-7652025-B2 Remedies for sepsis TORAY INDUSTRIES, INC. (JP) 2010-01-26 — — US disclosed
US-7642274-B2 Inhibitor of pain threshold decrease SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-01-05 — — US disclosed
US-20070117853-A1 Inhibitor of pain threshold decrease SANTEN PHARMACEUTICAL CO., LTD (JP) 2007-05-24 — — US disclosed
EP-1642590-A1 PAIN THRESHOLD FALL INHIBITOR SANTEN PHARMACEUTICAL CO., LTD. (JP) 2006-04-05 — — EP disclosed
US-20040147536-A1 Remedies for sepsis TORAY INDUSTRIES, INC. (JP) 2004-07-29 — — US disclosed
EP-1402899-A1 REMEDIES FOR SEPSIS TORAY INDUSTRIES, INC. (JP) 2004-03-31 — — 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-20070117853-A1 Inhibitor of pain threshold decrease OPRD1, OPRK1, OPRL1 OPRK1 2/4885CYP3A4 1912/4885CYP2D6 3114/4885
US-20040147536-A1 Remedies for sepsis OPRM1, OPRK1, OPRD1 OPRK1 2/4885CYP3A4 123/4885CYP2D6 186/4885

“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.

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