SCHEMBL3528763

SCHEMBL3528763

COc1ccc(CC(=O)N(C)C2CCCCC2N(C)C)cc1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 13/20 0.72
EPHX2 P34913 1/20 0.52
CCR5 P51681 1/20 0.51
ALOX5 P09917 1/20 0.46
OPRK1 P41145 2/20 0.46
OPRM1 P35372 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
MTOR P42345 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 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
Hydrochloric Acid SCHEMBL11534945 0.99 SIGMAR1 (0.70) SIGMAR1EPHX2CCR5ALOX5OPRK1
SCHEMBL15962426 0.84 SIGMAR1 (1.00) SIGMAR1OPRK1OPRM1MEN1ALDH1A1
SCHEMBL11394433 0.83 SIGMAR1 (0.64) SIGMAR1EPHX2CCR5MEN1ALDH1A1
Hydrochloric Acid SCHEMBL11530039 0.83 SIGMAR1 (0.56) SIGMAR1OPRK1OPRM1MEN1ALDH1A1
SCHEMBL9699975 0.83 SIGMAR1 (0.70) SIGMAR1CCR5OPRK1OPRM1MEN1
SCHEMBL11526101 0.82 SIGMAR1 (0.69) SIGMAR1CCR5OPRK1OPRM1MEN1
SCHEMBL11533330 0.82 SIGMAR1 (0.69) SIGMAR1CCR5OPRK1OPRM1MEN1
Hydrochloric Acid SCHEMBL11529411 0.82 SIGMAR1 (0.69) SIGMAR1CCR5OPRK1OPRM1MEN1
SCHEMBL2405257 0.81 CCR5 (0.62) SIGMAR1EPHX2CCR5ALOX5ALDH1A1
SCHEMBL3527812 0.80 KCNH2 (0.55) SIGMAR1CCR5OPRK1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2003526594-A 2003-09-09 JP claimed
EP-0996434-A4 KAPPA AGONIST ANTI-PRURITIC PHARMACEUTICAL FORMULATIONS AND METHOD OF TREATING PRURITUS THEREWITH ADOLOR CORP (US) 2001-10-10 EP claimed
EP-0996434-A1 KAPPA AGONIST ANTI-PRURITIC PHARMACEUTICAL FORMULATIONS AND METHOD OF TREATING PRURITUS THEREWITH Adolor Corporation (US) 2000-05-03 EP claimed
WO-1999003459-A1 KAPPA AGONIST ANTI-PRURITIC PHARMACEUTICAL FORMULATIONS AND METHOD OF TREATING PRURITUS THEREWITH ADOLOR CORPORATION (US) 1999-01-28 WO claimed
US-7652025-B2 Remedies for sepsis TORAY INDUSTRIES, INC. (JP) 2010-01-26 US 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
EP-0996434-A4 KAPPA AGONIST ANTI-PRURITIC PHARMACEUTICAL FORMULATIONS AND METHOD OF TREATING PRURITUS THEREWITH ADOLOR CORP (US) 2001-10-10 EP disclosed
US-6156769-A Kappa agonist anti-pruritic pharmaceutical formulations and method of treating pruritus therewith APOLOR CORP. (US) 2000-12-05 US disclosed
EP-0996434-A1 KAPPA AGONIST ANTI-PRURITIC PHARMACEUTICAL FORMULATIONS AND METHOD OF TREATING PRURITUS THEREWITH Adolor Corporation (US) 2000-05-03 EP disclosed
US-6048860-A Kappa agonist anti-pruritic pharmaceutical formulations and method of treating pruritus therewith ADOLOR CORPORATION (US) 2000-04-11 US disclosed
US-6004964-A ADMINISTERING AMIDE OR SULFONAMIDE DERIVATIVE; ANALGESICS ADOLOR CORPORATION (US) 1999-12-21 US disclosed
US-5869521-A Kappa agonist anti-pruritic pharmaceutical formulations and method of treating pruritus therewith ADOLOR CORPORATION (US) 1999-02-09 US disclosed
WO-1999003459-A1 KAPPA AGONIST ANTI-PRURITIC PHARMACEUTICAL FORMULATIONS AND METHOD OF TREATING PRURITUS THEREWITH ADOLOR CORPORATION (US) 1999-01-28 WO disclosed
US-5760023-A CYCLOHEXYLACETAMIDE DERIVATIVES, AGONIST AT KAPPA OPIOD RECEPTORS, TREATMENT OF ITCHING ADOLOR CORPORATION (US) 1998-06-02 US disclosed
US-4145435-A 2-AMINOCYCLOALIPHATIC AMIDE COMPOUNDS THE UPJOHN COMPANY (US) 1979-03-20 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-20040147536-A1 Remedies for sepsis OPRM1, OPRK1, OPRD1 SIGMAR1 41/4885EPHX2 1573/4885CCR5 388/4885

“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.