SCHEMBL3534717

SCHEMBL3534717

FCC(F)(F)N1CCNCC1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.32
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL19492330 0.78 ADRB1 (0.31) ADRB1
SCHEMBL19362479 0.78 ADRB1 (0.31) ADRB1
SCHEMBL7050888 0.76
SCHEMBL5314783 0.76
Hydrochloric Acid SCHEMBL6484703 0.75 ALDH1A1 (0.30)
SCHEMBL8584915 0.74
SCHEMBL72235 0.73 POLB (0.35) POLBSMN1; SMN2
SCHEMBL22430210 0.73 CHRM5 (0.31)
SCHEMBL517802 0.73 ADRB1 (0.37) ADRB1
Hydrochloric Acid SCHEMBL4229103 0.71 POLB (0.34) POLBSMN1; SMN2

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109071530-B Fused pyrimidine piperidine ring derivatives, and preparation method and application thereof 上海艾力斯医药科技股份有限公司 2021-08-17 CN disclosed
EP-3466948-B1 FUSED PYRIMIDINOPIPERIDINE DERIVATIVE, AND MANUFACTURING METHOD AND APPLICATION THEREOF SHANGHAI ALLIST PHARMACEUTICALS CO LTD (CN) 2021-01-20 EP disclosed
US-10544144-B2 Fused pyrimidine piperidine cyclic derivative, preparation process and use thereof SHANGHAI ALLIST PHARMACEUTICAL AND MEDICAL TECHNOL (CN) 2020-01-28 US disclosed
US-20190218213-A1 FUSED PYRIMIDINE PIPERIDINE CYCLIC DERIVATIVE, PREPARATION PROCESS AND USE THEREOF SHANGHAI ALLIST PHARMACEUTICALS CO., LTD. (CN) 2019-07-18 US disclosed
EP-3466948-A1 FUSED PYRIMIDINOPIPERIDINE DERIVATIVE, AND MANUFACTURING METHOD AND APPLICATION THEREOF Shanghai Allist Pharmaceutical and Medical Technology Corporations (CN) 2019-04-10 EP disclosed
US-7642278-B2 Nitrogen compounds such as 3-(5-morpholin-4-yl-1H-benz-imidazol-2-yl)-1H-indazole and/or isomers, used as immunology modulators, antidiabetic agents, antiogenesis inhibitors or for prophylaxis of Alzheimer's disease NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-01-05 US disclosed
US-20060079564-A1 Indazole benzimidazole compounds CHIRON CORPORATION 2006-04-13 US disclosed
US-5063208-A Cardiovascular disorders, vision defects ABBOTT LABORATORIES (US) 1991-11-05 US disclosed
EP-0416393-A1 Peptidyl difluorodiol renin inhibitors ABBOTT LABORATORIES (US) 1991-03-13 EP disclosed
EP-0410260-A2 Peptidyl aminodiol renin inhibitors ABBOTT LABORATORIES (US) 1991-01-30 EP disclosed
WO-1989010751-A1 FUNCTIONALIZED PEPTIDYL AMINODIOLS AND -TRIOLS ABBOTT LABORATORIES (US) 1989-11-16 WO disclosed
EP-0341602-A2 Renin-inhibiting functionalized peptidyl aminodiols and - triols ABBOTT LABORATORIES (US) 1989-11-15 EP disclosed
EP-0307837-A2 Renin-inhibiting peptidyl heterocycles ABBOTT LABORATORIES (US) 1989-03-22 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 (3 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-20060079564-A1 Indazole benzimidazole compounds ABL1, ABL2, ALK ADRB1 1876/4885POLB 2753/4885SMN1; SMN2 1141/4885
US-20190218213-A1 FUSED PYRIMIDINE PIPERIDINE CYCLIC DERIVATIVE, PREPARATION PROCESS AND USE THEREOF FGFR1, FGFR4, FGFR2 ADRB1 3203/4885POLB 1030/4885SMN1; SMN2 3406/4885
US-10544144-B2 Fused pyrimidine piperidine cyclic derivative, preparation process and use thereof FGFR1, FGFR4, FGFR2 ADRB1 3203/4885POLB 1030/4885SMN1; SMN2 3406/4885

“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.