SCHEMBL749417

SCHEMBL749417

O=C(OCc1ccccc1)N1CC=C(OS(=O)(=O)C(F)(F)F)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.49
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
CYP2C19 P33261 1/20 0.44
RORC P51449 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TMEM97 Q5BJF2 3/20 0.41
SIGMAR1 Q99720 3/20 0.41
PTGDR2 Q9Y5Y4 3/20 0.40
GRIN2B Q13224 1/20 0.40

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
SCHEMBL13841156 0.90 MEN1 (0.46) GRM5MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL31510723 0.84 GRM5 (0.41) GRM5MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL20014800 0.83 GRM5 (0.50) GRM5MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL3926927 0.82 NPC1 (0.44) GRM5MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL6688964 0.81 GRM5 (0.57) GRM5MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL212404 0.81 RORC (0.37) MEN1KMT2ARAB9ARORCHPGD
SCHEMBL30273556 0.80 MEN1 (0.43) GRM5MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL8240830 0.80 HPGD (0.41) SMN1; SMN2L3MBTL1GAAHPGDSIGMAR1
SCHEMBL22476355 0.80 LMNA (0.40) SMN1; SMN2PTGDR2
SCHEMBL23123262 0.79 PKM (0.36) GRM5MEN1KMT2ACYP2C19RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117185987-A Amidine and guanidine derivatives, preparation method and medical application thereof 四川科伦博泰生物医药股份有限公司 2023-12-08 CN disclosed
CN-111630048-B Amidine and guanidine derivatives, preparation method and medical application thereof 四川科伦博泰生物医药股份有限公司 2023-09-29 CN disclosed
US-20230035133-A1 [1,2,4]Triazolo[4,3-B]Pyridazines For Use in the Treatment of Proliferative Diseases ASTRAZENECA AB (SE) 2023-02-02 US disclosed
US-20230035133-A1 [1,2,4]Triazolo[4,3-B]Pyridazines For Use in the Treatment of Proliferative Diseases ASTRAZENECA AB (SE) 2023-02-02 US disclosed
US-11407755-B2 [1,2,4]triazolo[4,3-b]pyridazines for use in the treatment of proliferative diseases ASTRAZENECA AB (SE) 2022-08-09 US disclosed
US-20210107905-A1 1,2,4]TRIAZOLO[4,3-B]PYRIDAZINES FOR USE IN THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2021-04-15 US disclosed
US-20210107905-A1 1,2,4]TRIAZOLO[4,3-B]PYRIDAZINES FOR USE IN THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2021-04-15 US disclosed
US-10766905-B2 [1,2,4]triazolo[4,3-B]pyridazines for use in the treatment of proliferative diseases ASTRAZENECA AB (SE) 2020-09-08 US disclosed
US-10766905-B2 [1,2,4]triazolo[4,3-B]pyridazines for use in the treatment of proliferative diseases ASTRAZENECA AB (SE) 2020-09-08 US disclosed
US-20200055861-A1 [1,2,4]TRIAZOLO[4,3-B]PYRIDAZINES FOR USE IN THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA UK LIMITED (GB) 2020-02-20 US disclosed
US-20040220171-A1 1-Aroyl-piperidinyl benzamidines AVENTIS PHARMACEUTICALS INC 2004-11-04 US disclosed
US-20040029887-A1 Acetamides and benzamides that are useful in treating sexual dysfunction ABBOTT LABORATORIES 2004-02-12 US disclosed
US-20030232836-A1 Acetamides and benzamides that are useful in treating sexual dysfunction ABBOTT LABORATORIES 2003-12-18 US disclosed
US-20030229094-A1 Acetamides and benzamides that are useful in treating sexual dysfunction ABBOTT LABORATORIES 2003-12-11 US disclosed
US-20030187020-A1 Chemical compounds AVENTISUB LLC 2003-10-02 US disclosed
EP-1296972-A1 ARYLMETHYLAMINE DERIVATIVES FOR USE AS TRYPTASE INHIBITORS Aventis Pharmaceuticals Inc. (US) 2003-04-02 EP disclosed
EP-1278732-A1 1-AROYL-PIPERIDINYL BENZAMIDINES Aventis Pharmaceuticals Inc. (US) 2003-01-29 EP disclosed
US-20020045613-A1 1-aroyl-piperidinyl benzamidines AVENTIS PHARMACEUTICALS PRODUCTS INC. 2002-04-18 US disclosed
WO-2001090101-A1 ARYLMETHYLAMINE DERIVATIVES FOR USE AS TRYPTASE INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2001-11-29 WO disclosed
WO-2001081310-A1 1-AROYL-PIPERIDINYL BENZAMIDINES AVENTIS PHARMACEUTICALS INC. (US) 2001-11-01 WO 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 (11 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-20030229094-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 GRM5 1577/4885MEN1 2828/4885KMT2A 2169/4885
US-20040220171-A1 1-Aroyl-piperidinyl benzamidines TPSAB1, TPSB2, CMA1 GRM5 3203/4885MEN1 489/4885KMT2A 2080/4885
US-20040029887-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 GRM5 1577/4885MEN1 2828/4885KMT2A 2169/4885
US-20200055861-A1 [1,2,4]TRIAZOLO[4,3-B]PYRIDAZINES FOR USE IN THE TREATMENT OF PROLIFERATIVE DISEASES MKI67, CCNB1, CCNB2 GRM5 3828/4885MEN1 619/4885KMT2A 2735/4885
US-20210107905-A1 1,2,4]TRIAZOLO[4,3-B]PYRIDAZINES FOR USE IN THE TREATMENT OF PROLIFERATIVE DISEASES MKI67, CCNB1, BCL2 GRM5 3878/4885MEN1 794/4885KMT2A 2678/4885
US-20020045613-A1 1-aroyl-piperidinyl benzamidines TPSAB1, TPSB2, CMA1 GRM5 3203/4885MEN1 489/4885KMT2A 2080/4885
US-11407755-B2 [1,2,4]triazolo[4,3-b]pyridazines for use in the treatment of proliferative diseases MKI67, CCNB1, CCNB2 GRM5 3828/4885MEN1 619/4885KMT2A 2735/4885
US-20030187020-A1 Chemical compounds CMA1, TPSB2, TPSG1 GRM5 1797/4885MEN1 2733/4885KMT2A 2305/4885
US-20230035133-A1 [1,2,4]Triazolo[4,3-B]Pyridazines For Use in the Treatment of Proliferative Diseases MKI67, CCNB1, CCNB2 GRM5 3828/4885MEN1 619/4885KMT2A 2735/4885
US-20030232836-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 GRM5 1577/4885MEN1 2828/4885KMT2A 2169/4885
US-10766905-B2 [1,2,4]triazolo[4,3-B]pyridazines for use in the treatment of proliferative diseases MKI67, CCNB1, CCNB2 GRM5 3828/4885MEN1 619/4885KMT2A 2735/4885

“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.