SCHEMBL1046087

SCHEMBL1046087

CC(CCC[O])c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.53
TAAR1 Q96RJ0 3/20 0.50
TRPA1 O75762 4/20 0.46
AOC3 Q16853 2/20 0.45
HTR2A P28223 2/20 0.39
HRH1 P35367 2/20 0.39

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
SCHEMBL1144320 0.94 RIPK1 (0.52) RIPK1TAAR1TRPA1AOC3
SCHEMBL1144436 0.86 RIPK1 (0.57) RIPK1TAAR1TRPA1AOC3
SCHEMBL6280516 0.81 RIPK1 (0.67) RIPK1TAAR1TRPA1AOC3
SCHEMBL8983535 0.81 RIPK1 (0.52) RIPK1TAAR1TRPA1AOC3HTR2A
SCHEMBL190051 0.80 RIPK1 (0.55) RIPK1TAAR1TRPA1AOC3
SCHEMBL1046531 0.79 ALOX5 (0.41) RIPK1HTR2A
SCHEMBL14445672 0.79 RIPK1 (0.50) RIPK1TAAR1TRPA1AOC3
SCHEMBL1045709 0.79 HTT (0.38) AOC3
SCHEMBL1044613 0.79 ADRB2 (0.43) AOC3
Lithium SCHEMBL30777534 0.79 RIPK1 (0.64) RIPK1TAAR1TRPA1AOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111655708-B 2, 3-biphosphinopyrazine derivative, process for producing the same, complex compound, catalyst, and process for producing organoboron compound 日本化学工业株式会社 2023-08-25 CN disclosed
CN-111032668-B Optically active 2,3-bisphosphinylpyrazine derivative, process for producing the same, transition metal complex, and process for producing organoboron compound 日本化学工业株式会社 2022-10-14 CN disclosed
US-11185851-B2 Polymer-supported metal TAKASAGO INTERNATIONAL CORPORATION (JP) 2021-11-30 US disclosed
US-20210348081-A1 METHOD FOR RELEASING ALDEHYDE OR KETONE TAKASAGO INTERNATIONAL CORPORATION (JP) 2021-11-11 US disclosed
US-11084835-B2 2,3-bisphosphinopyrazine derivative, method for producing same, transition metal complex, asymmetric catalyst, and method for producing organic boron compound NIPPON CHEMICAL INDUSTRIAL CO., LTD. (JP) 2021-08-10 US disclosed
US-11053265-B2 Optically active substituted 2,3-bisphosphinoquinoxalines and processes for producing the same NIPPON CHEMICAL INDUSTRIAL CO., LTD. (JP) 2021-07-06 US disclosed
US-20210047351-A1 2,3-BISPHOSPHINOPYRAZINE DERIVATIVE, METHOD FOR PRODUCING SAME, TRANSITION METAL COMPLEX, ASYMMETRIC CATALYST, AND METHOD FOR PRODUCING ORGANIC BORON COMPOUND NIPPON CHEMICAL INDUSTRIAL CO., LTD. (JP) 2021-02-18 US disclosed
US-20200377536-A1 OPTICALLY ACTIVE 2,3-BISPHOSPHINOPYRAZINE DERIVATIVE, METHOD FOR PRODUCING SAME, TRANSITION METAL COMPLEX, AND METHOD FOR PRODUCING ORGANIC BORON COMPOUND NIPPON CHEMICAL INDUSTRIAL CO., LTD. (JP) 2020-12-03 US disclosed
CN-111655708-A 2, 3-bisphosphinylpyrazine derivative, process for producing the same, transition metal complex, chiral catalyst, and process for producing organoboron compound 日本化学工业株式会社 2020-09-11 CN disclosed
CN-111032668-A Optically active 2, 3-bisphosphinylpyrazine derivative, method for producing same, transition metal complex, and method for producing organoboron compound 日本化学工业株式会社 2020-04-17 CN disclosed
EP-1243580-A1 HETEROCYCLIC IMINO COMPOUNDS AND FUNGICIDES AND INSECTICIDES FOR AGRICULTURAL AND HORTICULTURAL USE Nissan Chemical Industries, Ltd. (JP) 2002-09-25 EP disclosed
CN-1287117-A Cyclobutene derivatives, preparation method and therapeutic use thereof SANKYO CO (JP) 2001-03-14 CN disclosed
EP-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 EP disclosed
US-5629406-A AMINO ACID DERIVATIVES SANKYO COMPANY, LIMITED (JP) 1997-05-13 US disclosed
EP-0411150-B1 INDOLE DERIVATIVES, PREPARATION THEREOF, AND DRUG FOR PREVENTING AND TREATING NEPHRITIS CONTAINING SAME OTSUKA PHARMA CO LTD (JP) 1996-11-27 EP disclosed
WO-1995025514-A1 COMPOUNDS USEFUL AS ANXIOLYTIC, SEDATIVE, AND HYPNOTIC AGENTS DISCOVERY THERAPEUTICS, INC. (US) 1995-09-28 WO disclosed
EP-0587311-A1 Peptides capable of inhibiting the activity of HIV protease, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1994-03-16 EP disclosed
US-5238938-A Nephrosis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-08-24 US disclosed
EP-0498680-A1 New beta-amino-alpha-hydroxycarboxylic acids and their use Sankyo Company Limited (JP) 1992-08-12 EP disclosed
EP-0411150-A1 INDOLE DERIVATIVES, PREPARATION THEREOF, AND DRUG FOR PREVENTING AND TREATING NEPHRITIS CONTAINING SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-02-06 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 (6 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-20200377536-A1 OPTICALLY ACTIVE 2,3-BISPHOSPHINOPYRAZINE DERIVATIVE, METHOD FOR PRODUCING SAME, TRANSITION METAL COMPLEX, AND METHOD FOR PRODUCING ORGANIC BORON COMPOUND ORC3, BMP2, TERT RIPK1 2350/4885TAAR1 1021/4885TRPA1 275/4885
US-20210047351-A1 2,3-BISPHOSPHINOPYRAZINE DERIVATIVE, METHOD FOR PRODUCING SAME, TRANSITION METAL COMPLEX, ASYMMETRIC CATALYST, AND METHOD FOR PRODUCING ORGANIC BORON COMPOUND BPGM, COASY, BRSK2 RIPK1 1954/4885TAAR1 1255/4885TRPA1 2054/4885
US-11084835-B2 2,3-bisphosphinopyrazine derivative, method for producing same, transition metal complex, asymmetric catalyst, and method for producing organic boron compound BPGM, BRSK2, COASY RIPK1 2037/4885TAAR1 1232/4885TRPA1 1965/4885
US-11053265-B2 Optically active substituted 2,3-bisphosphinoquinoxalines and processes for producing the same TBXA2R, TBC1D15, P2RY2 RIPK1 2155/4885TAAR1 1408/4885TRPA1 857/4885
US-20210348081-A1 METHOD FOR RELEASING ALDEHYDE OR KETONE APEH, AKR7A2, FAAH2 RIPK1 3393/4885TAAR1 215/4885TRPA1 445/4885
US-11185851-B2 Polymer-supported metal SOD1, PCNA, MAX RIPK1 1190/4885TAAR1 4122/4885TRPA1 3768/4885

“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.