SCHEMBL3524893

SCHEMBL3524893

CN(C(=O)COc1ccc2ccccc2c1)C1CCCCC1N1CCCC1

nearest known ligand 0.78

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.78

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
SCHEMBL10745943 1.00 SIGMAR1 (0.78) SIGMAR1
SCHEMBL10619052 0.88 SIGMAR1 (1.00) SIGMAR1
SCHEMBL10619043 0.88 SIGMAR1 (1.00) SIGMAR1
Hydrochloric Acid SCHEMBL10621704 0.86 SIGMAR1 (0.98) SIGMAR1
Hydrochloric Acid SCHEMBL10621713 0.86 SIGMAR1 (0.98) SIGMAR1
SCHEMBL10619143 0.86 SIGMAR1 (0.87) SIGMAR1
SCHEMBL10619147 0.86 SIGMAR1 (0.87) SIGMAR1
SCHEMBL10747076 0.85 SIGMAR1 (0.55) SIGMAR1
SCHEMBL10747071 0.85 SIGMAR1 (0.55) SIGMAR1
Hydrochloric Acid SCHEMBL10617701 0.85 SIGMAR1 (0.85) SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4663343-A ANAGESICS, DIURETICS WARNER-LAMBERT COMPANY (US) 1987-05-05 US claimed
US-7652025-B2 Remedies for sepsis TORAY INDUSTRIES, INC. (JP) 2010-01-26 US disclosed
CN-1283317-C Remedies for sepsis TORAY INDUSTRIES (JP) 2006-11-08 CN disclosed
US-20040147536-A1 Remedies for sepsis TORAY INDUSTRIES, INC. (JP) 2004-07-29 US disclosed
CN-1507356-A Remedies for sepsis ������������ʽ���� 2004-06-23 CN disclosed
EP-1402899-A1 REMEDIES FOR SEPSIS TORAY INDUSTRIES, INC. (JP) 2004-03-31 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
US-6048860-A Kappa agonist anti-pruritic pharmaceutical formulations and method of treating pruritus therewith ADOLOR CORPORATION (US) 2000-04-11 US disclosed
US-4663343-A ANAGESICS, DIURETICS WARNER-LAMBERT COMPANY (US) 1987-05-05 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 41/4885

“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.