Ici-199,441

Ici-199,441

SCHEMBL6639282

CN(C(=O)Cc1ccc(Cl)c(Cl)c1)C(CN1CCCC1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 6/20 1.00
OPRK1 P41145 3/20 1.00
OPRM1 P35372 2/20 1.00
CYP3A4 P08684 2/20 1.00
CYP2D6 P10635 2/20 1.00
TSHR P16473 2/20 1.00
CYP2C19 P33261 2/20 1.00
ALDH1A1 P00352 1/20 1.00
TP53 P04637 1/20 1.00
CYP1A2 P05177 1/20 1.00
CYP2C9 P11712 1/20 1.00
MAPK1 P28482 1/20 1.00
SMN1; SMN2 Q16637 1/20 1.00
UTS2R Q9UKP6 1/20 1.00

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
Ici-199,441 SCHEMBL7640991 1.00 OPRD1 (1.00) OPRD1OPRK1OPRM1CYP3A4CYP2D6
Ici-199,441 SCHEMBL7647023 0.99 OPRD1 (0.98) OPRD1OPRK1OPRM1CYP3A4CYP2D6
Ici-199,441 SCHEMBL7062272 0.99 OPRD1 (0.98) OPRD1OPRK1OPRM1CYP3A4CYP2D6
SCHEMBL17570398 0.99 OPRD1 (0.98) OPRD1OPRK1OPRM1CYP3A4CYP2D6
SCHEMBL17570385 0.99 OPRD1 (0.98) OPRD1OPRK1OPRM1CYP3A4CYP2D6
Ici-199,441 SCHEMBL26981188 0.98 OPRD1 (0.96) OPRD1OPRK1OPRM1CYP3A4CYP2D6
SCHEMBL21468950 0.93 OPRK1 (0.86) OPRD1OPRK1OPRM1CYP3A4CYP2D6
SCHEMBL21120210 0.91 OPRK1 (0.83) OPRD1OPRK1OPRM1CYP3A4CYP2D6
SCHEMBL9457102 0.90 OPRD1 (0.81) OPRD1OPRK1OPRM1CYP3A4CYP2D6
SCHEMBL9457235 0.90 OPRD1 (0.81) OPRD1OPRK1OPRM1CYP3A4CYP2D6

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0254545-B1 DIAMINE COMPOUNDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-10-06 EP claimed
EP-0254545-A2 Diamine compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-01-27 EP claimed
US-20240180895-A1 USE OF KAPPA OPIOID RECEPTOR AGONISTS TO TREAT CARDIOVASCULAR DISEASE BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE 2024-06-06 US disclosed
EP-4302779-A1 CANCER THERAPEUTIC AGENT Socium Inc. (JP) 2024-01-10 EP disclosed
CN-116615242-A Cancer therapeutic agent 寿协株式会社 2023-08-18 CN disclosed
US-20220125781-A1 Methods and Compositions for Treating Vasomotor Symptoms UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION 2022-04-28 US disclosed
US-11083726-B2 Methods and compositions for treating vasomotor symptoms UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2021-08-10 US disclosed
US-20210030745-A9 Methods and Compositions for Treating Vasomotor Symptoms ACER THERAPEUTICS INC. 2021-02-04 US disclosed
EP-3013812-B1 KAPPA OPIOID AGONISTS AND USES THEREOF NEKTAR THERAPEUTICS (US) 2019-10-16 EP disclosed
US-20190255037-A1 Methods and Compositions for Treating Vasomotor Symptoms UNIV WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2019-08-22 US disclosed
EP-3237388-B1 N-METHYL-N-(1-PHENYL-2-(1-PYRROLIDINYL)ETHYL)-2-AMINOPHENYLACETAMIDE DERIVATIVES AGONISTS FOR THE KAPPA OPIOID RECEPTOR NEKTAR THERAPEUTICS (US) 2019-07-03 EP disclosed
US-8338442-B2 Opioid receptors antagonist ; restless leg syndrome; sleep disorders TORAY INDUSTRIES, INC. (JP) 2012-12-25 US disclosed
US-20110118136-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions KOESTER HUBERT 2011-05-19 US disclosed
US-20100298168-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions HK PHARMACEUTICALS, INC. 2010-11-25 US disclosed
US-20100248264-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions HK PHARMACEUTICALS, INC. 2010-09-30 US disclosed
US-20040116456-A1 Remedies for psychoneurosis TORAY INDUSTRIES, INC. (JP) 2004-06-17 US disclosed
EP-1380306-A1 REMEDIES FOR PSYCHONEUROSIS TORAY INDUSTRIES, INC. (JP) 2004-01-14 EP disclosed
US-5804595-A ANTIINFLAMMATORY AGENT TO TREAT PAIN CAUSED BY RHEUMATOID ARTHRITIS AND LAPAROSCOPIC SURGERY REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1998-09-08 US disclosed
EP-0254545-B1 DIAMINE COMPOUNDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-10-06 EP disclosed
EP-0254545-A2 Diamine compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-01-27 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 (7 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-20210030745-A9 Methods and Compositions for Treating Vasomotor Symptoms VASP, PDE3A, PDE2A OPRD1 1577/4885OPRK1 554/4885OPRM1 814/4885
US-20190255037-A1 Methods and Compositions for Treating Vasomotor Symptoms VASP, PDE3A, PDE2A OPRD1 1577/4885OPRK1 554/4885OPRM1 814/4885
US-20110118136-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions PTMS, QPCTL, SRMS OPRD1 4447/4885OPRK1 4226/4885OPRM1 4273/4885
US-11083726-B2 Methods and compositions for treating vasomotor symptoms VASP, PDE3A, PDE2A OPRD1 1577/4885OPRK1 554/4885OPRM1 814/4885
US-20220125781-A1 Methods and Compositions for Treating Vasomotor Symptoms VASP, PDE3A, PDE2A OPRD1 1577/4885OPRK1 554/4885OPRM1 814/4885
US-20240180895-A1 USE OF KAPPA OPIOID RECEPTOR AGONISTS TO TREAT CARDIOVASCULAR DISEASE OPRK1, OPRL1, OPRM1 OPRD1 4/4885OPRK1 1/4885OPRM1 3/4885
US-20100298168-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions CHLSN, PTMS, SRMS OPRD1 4811/4885OPRK1 4581/4885OPRM1 4666/4885

“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.