SCHEMBL1144366

SCHEMBL1144366

CCC(CCC[O])c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.44
NR1I2 O75469 1/20 0.42
LMNA P02545 2/20 0.42
SIGMAR1 Q99720 1/20 0.39
HTR2A P28223 3/20 0.37
HRH1 P35367 3/20 0.37
TAAR1 Q96RJ0 2/20 0.36
CYP2D6 P10635 1/20 0.36
CTSD P07339 1/20 0.36
CTSE P14091 1/20 0.36
BACE1 P56817 1/20 0.36
GABBR2 O75899 1/20 0.36
GABBR1 Q9UBS5 1/20 0.36
POLB P06746 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36

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
SCHEMBL1144422 0.88 CCR5 (0.46) CCR5NR1I2LMNASIGMAR1HTR2A
SCHEMBL28256760 0.86 AOC3 (0.40) CCR5NR1I2LMNASIGMAR1HTR2A
SCHEMBL598619 0.83 NR1I2 (0.49) CCR5NR1I2LMNASIGMAR1HTR2A
SCHEMBL28343866 0.83 NR1I2 (0.49) CCR5NR1I2LMNASIGMAR1HTR2A
SCHEMBL6685367 0.82 NR1I2 (0.56) CCR5NR1I2LMNASIGMAR1HTR2A
SCHEMBL3097530 0.80 NR1I2 (0.58) NR1I2LMNASIGMAR1HTR2A
SCHEMBL7719078 0.80 NR1I2 (0.58) NR1I2LMNASIGMAR1HTR2A
SCHEMBL3385362 0.80 LMNA (0.42) CCR5NR1I2LMNASIGMAR1HTR2A
SCHEMBL6679949 0.80 NR1I2 (0.58) NR1I2LMNASIGMAR1HTR2A
SCHEMBL22426629 0.80 CCR5 (0.44) CCR5NR1I2LMNASIGMAR1HTR2A

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 156 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-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
EP-0557035-A2 An ester cleavage process for use with beta-lactams ELI LILLY AND COMPANY (US) 1993-08-25 EP disclosed
EP-0247381-B1 5-FLUROROURACIL DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-08-04 EP disclosed
CN-1064683-A New beta-amino-alpha-hydroxycarboxylic acids and uses thereof SANKYO CO (JP) 1992-09-23 CN disclosed
EP-0498680-A1 New beta-amino-alpha-hydroxycarboxylic acids and their use Sankyo Company Limited (JP) 1992-08-12 EP disclosed
US-5047521-A Anticarcinogenic agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-09-10 US disclosed
US-5011938-A Antimicrobials ELI LILLY AND COMPANY (US) 1991-04-30 US disclosed
US-4940718-A BACTERICIDES ELI LILLY AND COMPANY (US) 1990-07-10 US disclosed
EP-0247381-A2 5-flurorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1987-12-02 EP disclosed
EP-0202046-A1 7-Substituted bicyclic pyrazolidinones ELI LILLY AND COMPANY (US) 1986-11-20 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 CCR5 2457/4885NR1I2 2302/4885LMNA 4071/4885
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 CCR5 699/4885NR1I2 1238/4885LMNA 4440/4885
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 CCR5 730/4885NR1I2 1201/4885LMNA 4432/4885
US-11053265-B2 Optically active substituted 2,3-bisphosphinoquinoxalines and processes for producing the same TBXA2R, TBC1D15, P2RY2 CCR5 2544/4885NR1I2 2173/4885LMNA 3542/4885
US-20210348081-A1 METHOD FOR RELEASING ALDEHYDE OR KETONE APEH, AKR7A2, FAAH2 CCR5 3636/4885NR1I2 1179/4885LMNA 3203/4885
US-11185851-B2 Polymer-supported metal SOD1, PCNA, MAX CCR5 2945/4885NR1I2 3678/4885LMNA 4342/4885

“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.