SCHEMBL3529740

SCHEMBL3529740

CC(C(=O)N(C)C1CCCCC1N1CCCC1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 13/20 0.66
▸ CYP3A4 P08684 4/20 0.66
▸ CYP2D6 P10635 4/20 0.66
▸ TSHR P16473 3/20 0.66
▸ CYP1A2 P05177 2/20 0.66
▸ CYP2C19 P33261 2/20 0.66
▸ OPRK1 P41145 5/20 0.62
▸ OPRM1 P35372 2/20 0.62
▸ TP53 P04637 2/20 0.62
▸ ALDH1A1 P00352 2/20 0.62
▸ MEN1 O00255 1/20 0.62
▸ MTOR P42345 1/20 0.62
▸ RAB9A P51151 1/20 0.62
▸ KMT2A Q03164 1/20 0.62
▸ OPRD1 P41143 1/20 0.62
▸ MAPK8 P45983 1/20 0.62
▸ MAPK9 P45984 1/20 0.62
▸ MAPK10 P53779 1/20 0.62
▸ PMP22 Q01453 3/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.61

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
SCHEMBL10867328 1.00 SIGMAR1 (0.66) SIGMAR1CYP3A4CYP2D6TSHRCYP1A2
Hydrochloric Acid SCHEMBL5630517 0.88 SIGMAR1 (0.62) SIGMAR1CYP3A4CYP2D6TSHRCYP1A2
Hydrochloric Acid SCHEMBL5630513 0.88 SIGMAR1 (0.62) SIGMAR1CYP3A4CYP2D6TSHRCYP1A2
Hydrochloric Acid SCHEMBL6350297 0.85 SIGMAR1 (0.59) SIGMAR1CYP3A4CYP2D6TSHRCYP1A2
Hydrochloric Acid SCHEMBL6478894 0.85 SIGMAR1 (0.59) SIGMAR1CYP3A4CYP2D6TSHRCYP1A2
SCHEMBL3174438 0.84 OPRK1 (0.58) SIGMAR1CYP3A4CYP2D6TSHRCYP1A2
SCHEMBL10801595 0.84 SIGMAR1 (0.58) SIGMAR1CYP3A4CYP2D6TSHRCYP1A2
SCHEMBL11060007 0.81 SIGMAR1 (0.55) SIGMAR1CYP3A4CYP2D6TSHRCYP1A2
SCHEMBL7219461 0.81 SIGMAR1 (0.57) SIGMAR1CYP3A4CYP2D6TSHRCYP1A2
SCHEMBL7218504 0.80 SIGMAR1 (1.00) SIGMAR1CYP3A4CYP2D6TSHRCYP1A2

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 19 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-4618621-A SUBSTITUTED CYCLOHEXYLBENZENEACETAMIDE THE UPJOHN COMPANY (US) 1986-10-21 — — US disclosed
EP-0176309-A2 Use of N-(2-aminocyclohexyl)benzeneacetamides in the treatment of cerebral ischemia THE UPJOHN COMPANY (US) 1986-04-02 — — EP disclosed
US-4463013-A Oxygen substituted amino-cyclohexyl-benzeneacetamides and -benzamides as water diuretic drugs THE UPJOHN COMPANY (US) 1984-07-31 — — 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 41/4885CYP3A4 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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