SCHEMBL4201028

SCHEMBL4201028

CCCC(C)CCC(C)N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.50
TSHR P16473 2/20 0.46
TP53 P04637 1/20 0.39
ALDH1A1 P00352 4/20 0.35
GABRP O00591 2/20 0.35
GABRD O14764 2/20 0.35
GABRA1 P14867 2/20 0.35
GABRB1 P18505 2/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA5 P31644 2/20 0.35
GABRA3 P34903 2/20 0.35
GABRA2 P47869 2/20 0.35
GABRB2 P47870 2/20 0.35
GABRA4 P48169 2/20 0.35
GABRE P78334 2/20 0.35
GABRA6 Q16445 2/20 0.35
GABRG1 Q8N1C3 2/20 0.35
GABRG3 Q99928 2/20 0.35
GABRQ Q9UN88 2/20 0.35

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
SCHEMBL24699587 1.00 OPRM1 (0.50) OPRM1TSHRTP53ALDH1A1GABRP
SCHEMBL20610005 0.84 TSHR (0.59) OPRM1TSHRMETAP1ACE2TDP1
SCHEMBL11284239 0.83 OPRM1 (0.67) OPRM1TSHRTP53ALDH1A1GABRP
SCHEMBL24026302 0.83 TSHR (0.42) OPRM1TSHRTP53ALDH1A1METAP1
SCHEMBL20921481 0.83 OPRM1 (0.59) OPRM1TSHRTP53ALDH1A1GABRP
SCHEMBL23654175 0.83 OPRM1 (0.59) OPRM1TSHRTP53ALDH1A1GABRP
SCHEMBL23776132 0.83 OPRM1 (0.59) OPRM1TP53ALDH1A1ACE2TDP1
SCHEMBL11125748 0.83 OPRM1 (0.59) OPRM1TSHRTP53ALDH1A1GABRP
SCHEMBL566853 0.81
SCHEMBL7887 0.81

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
WO-2014037313-A1 USE OF SUBSTITUTED BENZODIAZEPINONES AND BENZAZEPINONES OR THE SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2014-03-13 WO disclosed
US-20090011946-A1 Use of Sequence Specific Polymers in Chemical Detection KALINEX (US) 2009-01-08 US disclosed
EP-1839059-A1 USE OF SEQUENCE SPECIFIC POLYMERS IN CHEMICAL DETECTION Kalinex (US) 2007-10-03 EP disclosed
WO-2006069263-A1 USE OF SEQUENCE SPECIFIC POLYMERS IN CHEMICAL DETECTION KALINEX (US) 2006-06-29 WO disclosed
US-20050003558-A1 Biological sample component purification and differential display CHIRON CORPORATION (US) 2005-01-06 US disclosed
US-6783929-B1 COMPRISES POLYAMIDE LIGANDS FOR ENHANCED EFFICIENCY OF PROTEOMICS CHIRON CORPORATION 2004-08-31 US disclosed
US-6646093-B2 Extruding auxiliary for cement materials, a mortar thickening agent, an underwater concrete thickening agent, a ceramics forming binder and a moisturizer for hair cosmetics; water and shape retention. MITSUI CHEMICALS, INC. (JP) 2003-11-11 US disclosed
EP-0789577-B1 SYNTHESIS OF N-SUBSTITUTED OLIGOMERS CHIRON CORP (US) 2003-03-12 EP disclosed
US-20020045724-A1 Water-souluble polyurthane having comb-shaped hydrophobic group and application thereof MITSUI TAKEDA CHEMICALS, INC. (JP) 2002-04-18 US disclosed
EP-1155327-A1 BIOLOGICAL SAMPLE COMPONENT PURIFICATION AND DIFFERENTIAL DISPLAY CHIRON CORPORATION (US) 2001-11-21 EP disclosed
WO-2001033230-A2 BIOLOGICAL SAMPLE COMPONENT PURIFICATION AND DIFFERENTIAL DISPLAY CHIRON CORPORATION (US) 2001-05-10 WO disclosed
EP-0846679-B1 Process for preparing 1,3-disubstituted urea SUMIKA FINE CHEMICALS CO LTD (JP) 2000-09-06 EP disclosed
US-5902899-A Process for preparing 1, 3-disubstituted urea SUMIKA FINE CHEMICALS CO., LTD. (JP) 1999-05-11 US disclosed
US-5877278-A SOLID PHASE SYNTHESIS USING TWO SUBMONOMERS-AN ACYLATING AGENT, E.G. A HALOACETIC ACID, AND A PRIMARY AMINE; CYCLIZATION TO PRODUCE MIMETICS OF DRUGS; ELIMINATION OF THE NECESSITY OF PROTECTION GROUPS CHIRON CORPORATION (US) 1999-03-02 US disclosed
EP-0846679-A2 Process for preparing 1,3-disubstituted urea SUMIKA FINE CHEMICALS Co., Ltd. (JP) 1998-06-10 EP disclosed
US-5536853-A Opiate receptor ligands CHIRON CORPORATION (US) 1996-07-16 US disclosed
WO-1995027729-A1 OPIATE RECEPTOR LIGANDS CHIRON CORPORATION (US) 1995-10-19 WO disclosed
EP-0010256-B1 PROCESS FOR PREPARING SYMMETRIC 1,3-DISUBSTITUTED UREAS BASF Aktiengesellschaft (DE) 1982-12-29 EP disclosed
EP-0010256-A2 Process for preparing symmetric 1,3-disubstituted ureas BASF Aktiengesellschaft (DE) 1980-04-30 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 (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-20020045724-A1 Water-souluble polyurthane having comb-shaped hydrophobic group and application thereof BMI1, ASH2L, HAT1 OPRM1 2970/4885TSHR 4441/4885TP53 1660/4885

“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.